 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_B3LYPDBJ-def2TZVPDr.in
 Output=06_betapinene_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/06_betapinene_STD/Gau-219605.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    219606.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=06_betapinene_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:05:53 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "06_betapinene_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 18:05:53 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Thu Jul 22 18:05:53 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   574 symmetry adapted cartesian basis functions of A   symmetry.
 There are   514 symmetry adapted basis functions of A   symmetry.
   514 basis functions,   756 primitive gaussians,   574 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0493411780 Hartrees.
 Nuclear repulsion after empirical dispersion term =      570.9563421127 Hartrees.
 Leave Link  301 at Thu Jul 22 18:05:54 2021, MaxMem=  5637144576 cpu:               5.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   514 RedAO= T EigKep=  1.25D-06  NBF=   514
 NBsUse=   513 1.00D-06 EigRej=  6.17D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   573   573   573   573   573 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 18:05:55 2021, MaxMem=  5637144576 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:05:55 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:05:56 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636475886 LenY=  5636145836
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.845275451337    
 DIIS: error= 1.54D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.845275451337     IErMin= 1 ErrMin= 1.54D-03
 ErrMax= 1.54D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-03 BMatP= 2.60D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.54D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 GapD=    0.250 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.09D-02 MaxDP=1.70D+00              OVMax= 1.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.09D-02    CP:  1.12D+00
 E= -390.846364786948     Delta-E=       -0.001089335612 Rises=F Damp=F
 DIIS: error= 2.31D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.846364786948     IErMin= 2 ErrMin= 2.31D-05
 ErrMax= 2.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 2.60D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.794D-02 0.101D+01
 Coeff:     -0.794D-02 0.101D+01
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=4.95D-04 MaxDP=7.49D-02 DE=-1.09D-03 OVMax= 7.45D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.23D-04    CP:  1.12D+00  1.04D+00
 E= -390.846366365165     Delta-E=       -0.000001578216 Rises=F Damp=F
 DIIS: error= 2.58D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.846366365165     IErMin= 2 ErrMin= 2.31D-05
 ErrMax= 2.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.94D-07 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.363D-02 0.425D+00 0.579D+00
 Coeff:     -0.363D-02 0.425D+00 0.579D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=1.88D-05 MaxDP=1.72D-03 DE=-1.58D-06 OVMax= 2.93D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.95D-06    CP:  1.12D+00  1.04D+00  1.05D+00
 E= -390.846366880714     Delta-E=       -0.000000515549 Rises=F Damp=F
 DIIS: error= 1.19D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.846366880714     IErMin= 4 ErrMin= 1.19D-05
 ErrMax= 1.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-07 BMatP= 5.94D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.379D-03 0.312D-01 0.307D+00 0.663D+00
 Coeff:     -0.379D-03 0.312D-01 0.307D+00 0.663D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=7.00D-06 MaxDP=6.81D-04 DE=-5.16D-07 OVMax= 1.55D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.89D-06    CP:  1.12D+00  1.04D+00  1.07D+00  9.41D-01
 E= -390.846366975654     Delta-E=       -0.000000094940 Rises=F Damp=F
 DIIS: error= 6.53D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.846366975654     IErMin= 5 ErrMin= 6.53D-06
 ErrMax= 6.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-08 BMatP= 1.20D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.329D-04-0.127D-01 0.157D+00 0.432D+00 0.423D+00
 Coeff:      0.329D-04-0.127D-01 0.157D+00 0.432D+00 0.423D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=1.26D-06 MaxDP=1.04D-04 DE=-9.49D-08 OVMax= 9.00D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.90D-07    CP:  1.12D+00  1.04D+00  1.07D+00  9.52D-01  9.80D-01
 E= -390.846367002517     Delta-E=       -0.000000026864 Rises=F Damp=F
 DIIS: error= 9.49D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.846367002517     IErMin= 6 ErrMin= 9.49D-07
 ErrMax= 9.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-10 BMatP= 2.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.390D-04-0.750D-02 0.478D-01 0.140D+00 0.185D+00 0.635D+00
 Coeff:      0.390D-04-0.750D-02 0.478D-01 0.140D+00 0.185D+00 0.635D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=2.65D-07 MaxDP=1.48D-05 DE=-2.69D-08 OVMax= 1.12D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.79D-07    CP:  1.12D+00  1.04D+00  1.07D+00  9.63D-01  1.01D+00
                    CP:  9.68D-01
 E= -390.846367002975     Delta-E=       -0.000000000458 Rises=F Damp=F
 DIIS: error= 1.40D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.846367002975     IErMin= 7 ErrMin= 1.40D-07
 ErrMax= 1.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-11 BMatP= 4.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-04-0.285D-02 0.147D-01 0.442D-01 0.655D-01 0.297D+00
 Coeff-Com:  0.581D+00
 Coeff:      0.161D-04-0.285D-02 0.147D-01 0.442D-01 0.655D-01 0.297D+00
 Coeff:      0.581D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=5.24D-08 MaxDP=3.01D-06 DE=-4.58D-10 OVMax= 1.63D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.28D-08    CP:  1.12D+00  1.04D+00  1.07D+00  9.64D-01  1.02D+00
                    CP:  9.80D-01  1.02D+00
 E= -390.846367003031     Delta-E=       -0.000000000056 Rises=F Damp=F
 DIIS: error= 3.08D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.846367003031     IErMin= 8 ErrMin= 3.08D-08
 ErrMax= 3.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-12 BMatP= 2.96D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-05-0.268D-03 0.411D-03 0.144D-02 0.517D-02 0.459D-01
 Coeff-Com:  0.237D+00 0.711D+00
 Coeff:      0.192D-05-0.268D-03 0.411D-03 0.144D-02 0.517D-02 0.459D-01
 Coeff:      0.237D+00 0.711D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=2.23D-08 MaxDP=1.65D-06 DE=-5.56D-11 OVMax= 2.80D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.34D-08    CP:  1.12D+00  1.04D+00  1.07D+00  9.65D-01  1.02D+00
                    CP:  9.81D-01  1.06D+00  9.95D-01
 E= -390.846367002990     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 8.74D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -390.846367003031     IErMin= 9 ErrMin= 8.74D-09
 ErrMax= 8.74D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-14 BMatP= 1.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-07 0.249D-04-0.455D-03-0.142D-02-0.676D-03 0.337D-02
 Coeff-Com:  0.640D-01 0.263D+00 0.672D+00
 Coeff:      0.115D-07 0.249D-04-0.455D-03-0.142D-02-0.676D-03 0.337D-02
 Coeff:      0.640D-01 0.263D+00 0.672D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=5.53D-09 MaxDP=8.17D-07 DE= 4.08D-11 OVMax= 6.92D-08

 SCF Done:  E(RB3LYP) =  -390.846367003     A.U. after    9 cycles
            NFock=  9  Conv=0.55D-08     -V/T= 2.0057
 KE= 3.886499891309D+02 PE=-2.046756728136D+03 EE= 6.963040298892D+02
 Leave Link  502 at Thu Jul 22 18:10:44 2021, MaxMem=  5637144576 cpu:            2292.1 elap:             287.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   514 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    513 NOA=    38 NOB=    38 NVA=   475 NVB=   475

 **** Warning!!: The largest alpha MO coefficient is  0.17922445D+03

 Leave Link  801 at Thu Jul 22 18:10:44 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.01D-13 8.33D-09 XBig12= 1.00D+00 3.95D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.01D-13 8.33D-09 XBig12= 1.97D-01 5.82D-02.
     11 vectors produced by pass  2 Test12= 3.01D-13 8.33D-09 XBig12= 4.29D-02 5.32D-02.
     11 vectors produced by pass  3 Test12= 3.01D-13 8.33D-09 XBig12= 5.18D-03 1.56D-02.
     11 vectors produced by pass  4 Test12= 3.01D-13 8.33D-09 XBig12= 4.81D-04 5.88D-03.
     11 vectors produced by pass  5 Test12= 3.01D-13 8.33D-09 XBig12= 1.86D-05 6.89D-04.
     11 vectors produced by pass  6 Test12= 3.01D-13 8.33D-09 XBig12= 3.95D-07 6.84D-05.
     11 vectors produced by pass  7 Test12= 3.01D-13 8.33D-09 XBig12= 5.91D-09 1.16D-05.
     11 vectors produced by pass  8 Test12= 3.01D-13 8.33D-09 XBig12= 1.03D-10 1.27D-06.
      8 vectors produced by pass  9 Test12= 3.01D-13 8.33D-09 XBig12= 1.11D-12 1.19D-07.
      1 vectors produced by pass 10 Test12= 3.01D-13 8.33D-09 XBig12= 1.28D-14 8.77D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.131844D+03
      2 -0.814852D+01  0.122785D+03
      3  0.290706D+00  0.114817D+01  0.106779D+03
 Isotropic polarizability for W=    0.093368      120.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.133566D+02 -0.318485D+02  0.447845D+01
      2   0.199665D+02 -0.877781D+01 -0.848965D+01
      3  -0.333230D+02  0.406263D+02  0.401121D+01
      4  -0.775785D+02  0.608267D+02  0.134764D+02
      5   0.564435D+01  0.198117D+02 -0.217943D+02
      6   0.978541D+01 -0.498036D+01 -0.836467D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.422959D+01 -0.405630D+01  0.296681D+01
      2   0.845563D+01  0.239131D+01 -0.754934D+01
      3   0.108361D+02 -0.100623D+02 -0.692975D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.633527D+01  0.350929D+01  0.414628D+02
      2  -0.116590D+01  0.369103D+01  0.115287D+02
      3  -0.457300D+02 -0.408602D+02 -0.100263D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.685399D+00 -0.806909D+00 -0.398413D+01
      2  -0.806909D+00 -0.427320D+00  0.736464D+00
      3  -0.398413D+01  0.736464D+00  0.803877D+00
 OR G Eigenvalues:    -4.0005    -0.6656     4.3572  Iso=     0.1029
 Eigenvectors:
   (1)   0.772304   0.043785   0.633742
   (2)   0.107129   0.974357  -0.197870
   (3)  -0.626155   0.220707   0.747809
 w=    0.093368 a.u., Optical Rotation Beta=      0.1029 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =       42.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  132355 ScalPx= 9.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  132355 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.01D-14 2.78D-09 XBig12= 1.00D+00 3.83D-01.
     30 vectors produced by pass  1 Test12= 5.01D-14 2.78D-09 XBig12= 3.49D-02 6.78D-02.
     30 vectors produced by pass  2 Test12= 5.01D-14 2.78D-09 XBig12= 1.38D-03 4.25D-03.
     30 vectors produced by pass  3 Test12= 5.01D-14 2.78D-09 XBig12= 1.90D-05 3.97D-04.
     30 vectors produced by pass  4 Test12= 5.01D-14 2.78D-09 XBig12= 1.90D-07 4.72D-05.
     30 vectors produced by pass  5 Test12= 5.01D-14 2.78D-09 XBig12= 1.21D-09 3.43D-06.
     30 vectors produced by pass  6 Test12= 5.01D-14 2.78D-09 XBig12= 3.30D-12 1.55D-07.
     12 vectors produced by pass  7 Test12= 5.01D-14 2.78D-09 XBig12= 7.54D-15 7.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  132355 ScalPx= 6.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  132355 ScalPx= 6.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  132355 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.73D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.131844D+03 -0.814852D+01  0.290706D+00
      2  -0.814852D+01  0.122785D+03  0.114817D+01
      3   0.290706D+00  0.114817D+01  0.106779D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.422959D+01 -0.405630D+01  0.296681D+01
      2   0.845563D+01  0.239131D+01 -0.754934D+01
      3   0.108361D+02 -0.100623D+02 -0.692975D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.133566D+02 -0.318485D+02  0.447845D+01
      2   0.199665D+02 -0.877781D+01 -0.848965D+01
      3  -0.333230D+02  0.406263D+02  0.401121D+01
      4  -0.775785D+02  0.608267D+02  0.134764D+02
      5   0.564435D+01  0.198117D+02 -0.217943D+02
      6   0.978541D+01 -0.498036D+01 -0.836467D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.190455D+01 -0.215000D+01 -0.177036D+01 -0.980354D+00  0.130561D+01
      2  -0.215000D+01 -0.141561D+01  0.104660D+01  0.130561D+01 -0.395721D+01
      3  -0.177036D+01  0.104660D+01 -0.268478D+01  0.191070D+01  0.123985D+01
                 6             7             8             9            10 
      1   0.191070D+01 -0.359353D+01  0.198482D+01 -0.360314D+01 -0.535323D-01
      2   0.123985D+01  0.198482D+01  0.279265D+01 -0.944662D+00  0.234285D+01
      3   0.404461D-01 -0.360314D+01 -0.944662D+00 -0.620499D+00  0.164610D+01
                11            12            13            14            15 
      1   0.234285D+01  0.164610D+01  0.203958D+01 -0.336597D+01 -0.130574D+00
      2  -0.345983D+01 -0.434076D-01 -0.336597D+01 -0.690934D+01  0.525281D+00
      3  -0.434076D-01  0.192774D+01 -0.130574D+00  0.525281D+00  0.102315D+01
                16            17            18            19            20 
      1   0.244175D+01  0.171002D+00  0.189152D+01 -0.137848D+02  0.100123D+02
      2   0.171002D+00  0.153567D+01 -0.265227D+00  0.100123D+02 -0.852322D+01
      3   0.189152D+01 -0.265227D+00 -0.585514D+01  0.342497D+01 -0.367660D+00
                21            22            23            24            25 
      1   0.342497D+01  0.100692D+02 -0.852682D+01 -0.183516D+01  0.278628D+00
      2  -0.367660D+00 -0.852682D+01  0.110922D+02 -0.229787D+01  0.474399D+00
      3  -0.183838D+01 -0.183516D+01 -0.229787D+01  0.279075D+01 -0.838388D+00
                26            27            28            29            30 
      1   0.474399D+00 -0.838388D+00  0.758332D+01 -0.701102D+01 -0.596457D+01
      2  -0.177733D+01  0.903997D+00 -0.701102D+01  0.806272D+01  0.244932D+01
      3   0.903997D+00  0.716717D-02 -0.596457D+01  0.244932D+01  0.280734D+01
                31            32            33            34            35 
      1  -0.105237D+02  0.902791D+01  0.882069D+00 -0.684420D+01  0.139954D+01
      2   0.902791D+01 -0.929082D+01  0.411234D+01  0.139954D+01  0.520662D+01
      3   0.882069D+00  0.411234D+01 -0.282276D+01  0.362333D+01 -0.327753D+01
                36            37            38            39            40 
      1   0.362333D+01  0.127218D+02 -0.617908D+01 -0.408988D+01 -0.256852D+01
      2  -0.327753D+01 -0.617908D+01  0.386710D+01 -0.772983D+00  0.283266D+01
      3  -0.950593D+00 -0.408988D+01 -0.772983D+00  0.271962D+01 -0.978026D+00
                41            42            43            44            45 
      1   0.283266D+01 -0.978026D+00 -0.795270D+01  0.509822D+00  0.313413D+01
      2   0.110066D+01  0.585116D+01  0.509822D+00  0.499120D+01  0.131617D+01
      3   0.585116D+01  0.655441D+00  0.313413D+01  0.131617D+01 -0.136687D+01
                46            47            48            49            50 
      1  -0.489696D+01  0.353467D+01  0.638057D+01  0.471113D+01 -0.516610D+01
      2   0.353467D+01 -0.308023D+01  0.164376D+00 -0.516610D+01 -0.764596D+01
      3   0.638057D+01  0.164376D+00 -0.243650D+01 -0.137819D+00 -0.664876D+00
                51            52            53            54            55 
      1  -0.137819D+00  0.124576D+02 -0.223808D+01 -0.272274D+01  0.203812D+01
      2  -0.664876D+00 -0.223808D+01  0.128914D+01  0.263259D+01 -0.352124D+01
      3   0.192045D+01 -0.272274D+01  0.263259D+01 -0.110628D+01 -0.253300D+01
                56            57            58            59            60 
      1  -0.352124D+01 -0.253300D+01 -0.331756D+01  0.645110D+01  0.401598D-01
      2   0.584738D+01 -0.728081D-01  0.645110D+01  0.409336D+01 -0.244448D+01
      3  -0.728081D-01 -0.138953D+01  0.401598D-01 -0.244448D+01  0.205113D+01
                61            62            63            64            65 
      1  -0.257863D+01 -0.741081D+00 -0.148977D+01  0.950083D-01 -0.954866D+00
      2  -0.741081D+00 -0.321799D+01  0.224214D+00 -0.954866D+00 -0.391053D+01
      3  -0.148977D+01  0.224214D+00  0.498003D+01  0.426324D+01  0.274248D+01
                66            67            68            69            70 
      1   0.426324D+01  0.992520D+00 -0.435149D+01  0.328212D+01  0.367087D+01
      2   0.274248D+01 -0.435149D+01  0.405126D+01 -0.121383D+01  0.181624D+01
      3   0.176690D+01  0.328212D+01 -0.121383D+01 -0.281342D+01  0.142035D+01
                71            72            73            74            75 
      1   0.181624D+01  0.142035D+01  0.455302D+01  0.622095D+00  0.265302D+01
      2  -0.425757D+00 -0.236577D+01  0.622095D+00  0.128324D+01  0.492308D+00
      3  -0.236577D+01 -0.125828D+01  0.265302D+01  0.492308D+00  0.243136D+01
                76            77            78            79            80 
      1  -0.730988D+00  0.718813D+00 -0.559305D+00  0.396761D+01  0.221036D+00
      2   0.718813D+00 -0.466242D-01  0.553589D+00  0.221036D+00  0.581279D+00
      3  -0.559305D+00  0.553589D+00 -0.314971D+00  0.332105D+01  0.828329D+00
                81            82            83            84            85 
      1   0.332105D+01  0.895771D+00  0.146726D+01 -0.916583D-01  0.152369D+01
      2   0.828329D+00  0.146726D+01  0.189405D+01  0.218709D+00  0.218728D+01
      3   0.430637D+01 -0.916583D-01  0.218709D+00 -0.104189D+00  0.259758D+00
                86            87            88            89            90 
      1   0.218728D+01  0.259758D+00 -0.677578D+00 -0.227294D+00 -0.135301D-01
      2   0.121782D+02  0.876307D+00 -0.227294D+00 -0.139548D+01  0.120923D+01
      3   0.876307D+00  0.976182D+00 -0.135301D-01  0.120923D+01  0.494647D+00
                91            92            93            94            95 
      1  -0.782272D+00 -0.125663D+00  0.958789D+00 -0.406288D+00 -0.118190D-01
      2  -0.125663D+00  0.523425D-01 -0.283245D+00 -0.118190D-01  0.675574D+00
      3   0.958789D+00 -0.283245D+00 -0.126141D+01  0.103938D-01  0.969579D+00
                96            97            98            99           100 
      1   0.103938D-01  0.128401D+01 -0.273116D-01 -0.921209D+00  0.958366D+01
      2   0.969579D+00 -0.273116D-01  0.160380D+01  0.188633D+01 -0.255809D+01
      3  -0.137216D+00 -0.921209D+00  0.188633D+01  0.873624D+01  0.305248D+01
               101           102           103           104           105 
      1  -0.255809D+01  0.305248D+01 -0.744903D+00  0.155954D+01  0.469419D+00
      2   0.181139D+01 -0.865119D+00  0.155954D+01 -0.163117D+01 -0.247021D+00
      3  -0.865119D+00  0.146942D+01  0.469419D+00 -0.247021D+00  0.151552D-01
               106           107           108           109           110 
      1   0.538544D+01 -0.872768D+00  0.145374D+01  0.112284D+01 -0.121021D+01
      2  -0.872768D+00 -0.553294D-01 -0.309623D-02 -0.121021D+01 -0.819305D+00
      3   0.145374D+01 -0.309623D-02  0.109613D+01  0.170871D+00 -0.110096D+01
               111           112           113           114           115 
      1   0.170871D+00 -0.150437D+01  0.148710D+01  0.434892D+00  0.710228D-01
      2  -0.110096D+01  0.148710D+01 -0.845039D+01 -0.314765D+01 -0.100367D+00
      3  -0.567480D+00  0.434892D+00 -0.314765D+01 -0.182662D+01 -0.263821D+00
               116           117           118           119           120 
      1  -0.100367D+00 -0.263821D+00 -0.595909D+00 -0.931395D+00 -0.465508D+00
      2  -0.422091D+01 -0.162329D+01 -0.931395D+00 -0.912526D+00 -0.431709D+00
      3  -0.162329D+01 -0.132038D+01 -0.465508D+00 -0.431709D+00 -0.732265D+00
               121           122           123           124           125 
      1  -0.164323D+01 -0.547609D+00 -0.519127D+00  0.106617D+00 -0.491437D+00
      2  -0.547609D+00 -0.549392D+01 -0.343608D+01 -0.491437D+00 -0.267552D+01
      3  -0.519127D+00 -0.343608D+01 -0.293709D+01 -0.584721D+00 -0.278519D+01
               126           127           128           129           130 
      1  -0.584721D+00 -0.248887D+01 -0.156801D+01 -0.490171D+01 -0.198721D+01
      2  -0.278519D+01 -0.156801D+01  0.133089D+01  0.116857D+00  0.214651D+01
      3  -0.366981D+01 -0.490171D+01  0.116857D+00  0.227609D+01  0.589982D+00
               131           132           133           134           135 
      1   0.214651D+01  0.589982D+00 -0.469979D+01  0.482027D+00  0.227309D+01
      2   0.693580D+01 -0.905599D+00  0.482027D+00  0.195074D+00 -0.269138D+01
      3  -0.905599D+00 -0.301278D+01  0.227309D+01 -0.269138D+01 -0.266822D-01
               136           137           138           139           140 
      1   0.284674D+00 -0.248040D+01 -0.450368D+01 -0.383622D+01  0.361117D+01
      2  -0.248040D+01  0.135931D+01  0.437599D-01  0.361117D+01  0.690115D+01
      3  -0.450368D+01  0.437599D-01  0.204252D+01  0.219022D+00  0.103750D+01
               141           142           143           144           145 
      1   0.219022D+00 -0.655290D+01  0.988208D+00  0.331410D+01 -0.628134D+01
      2   0.103750D+01  0.988208D+00  0.330762D+00 -0.252994D+01  0.442095D+01
      3  -0.288120D+01  0.331410D+01 -0.252994D+01  0.289904D+01  0.100448D+01
               146           147           148           149           150 
      1   0.442095D+01  0.100448D+01  0.333399D+01 -0.390524D+01 -0.210484D+00
      2  -0.469287D+01 -0.577530D+00 -0.390524D+01  0.533168D+01  0.916663D+00
      3  -0.577530D+00 -0.791400D+00 -0.210484D+00  0.916663D+00  0.675395D+00
               151           152           153           154           155 
      1   0.108739D+01 -0.377861D+00 -0.950720D+00 -0.464143D+01  0.893847D+00
      2  -0.377861D+00  0.110935D+01  0.126298D+01  0.893847D+00 -0.101792D+01
      3  -0.950720D+00  0.126298D+01  0.370710D+00 -0.335735D+01  0.685979D+00
               156           157           158           159           160 
      1  -0.335735D+01 -0.270843D+00 -0.462675D+00  0.798276D-01 -0.291560D+01
      2   0.685979D+00 -0.462675D+00  0.104972D+00 -0.743916D+00  0.619495D+00
      3  -0.401452D+01  0.798276D-01 -0.743916D+00  0.437404D+00 -0.335806D+01
               161           162           163           164           165 
      1   0.619495D+00 -0.335806D+01  0.302813D+01  0.202384D+01 -0.256534D+01
      2  -0.995496D+00  0.122258D+01  0.202384D+01  0.278140D+01 -0.220136D+01
      3   0.122258D+01 -0.554079D+01 -0.256534D+01 -0.220136D+01  0.306247D+01
               166           167           168           169           170 
      1   0.109371D+01  0.198460D+01 -0.128488D+01 -0.119090D+01 -0.110067D+01
      2   0.198460D+01  0.294862D+01 -0.218070D+01 -0.110067D+01 -0.148044D+01
      3  -0.128488D+01 -0.218070D+01  0.248297D+01  0.133229D+01  0.221964D+01
               171           172           173           174           175 
      1   0.133229D+01  0.529039D+01  0.626087D+00  0.174080D+01  0.807191D+00
      2   0.221964D+01  0.626087D+00  0.915931D+00 -0.242465D+00  0.491397D+00
      3  -0.347116D+01  0.174080D+01 -0.242465D+00  0.273412D+01 -0.641619D-01
               176           177           178           179           180 
      1   0.491397D+00 -0.641619D-01  0.156312D+01  0.538527D-01  0.152044D+01
      2  -0.285973D+00  0.428501D+00  0.538527D-01  0.358882D+00  0.174718D+00
      3   0.428501D+00  0.557686D+00  0.152044D+01  0.174718D+00  0.211530D+01
               181           182           183           184           185 
      1  -0.437281D+00 -0.100201D+01  0.741910D+00 -0.136782D+01 -0.182666D+01
      2  -0.100201D+01 -0.988331D+00  0.185672D+00 -0.182666D+01 -0.882897D+01
      3   0.741910D+00  0.185672D+00 -0.601282D+00  0.453607D+00  0.227695D+01
               186           187           188           189           190 
      1   0.453607D+00  0.212961D+00 -0.115637D+00 -0.387297D+00 -0.382767D+01
      2   0.227695D+01 -0.115637D+00 -0.828535D-02 -0.753766D+00  0.519990D+00
      3  -0.181803D+01 -0.387297D+00 -0.753766D+00  0.390166D+00  0.359295D+01
               191           192           193           194           195 
      1   0.519990D+00  0.359295D+01  0.154171D+01 -0.949050D+00 -0.123035D+01
      2  -0.105771D+01 -0.203082D+00 -0.949050D+00  0.235677D+00  0.104430D+01
      3  -0.203082D+00 -0.422301D+01 -0.123035D+01  0.104430D+01  0.234517D+01
               196           197           198           199           200 
      1   0.256920D+01 -0.251920D+00 -0.322915D+01 -0.139269D+01  0.775721D+00
      2  -0.251920D+00  0.647415D+00  0.780877D+00  0.775721D+00 -0.357320D+00
      3  -0.322915D+01  0.780877D+00  0.572762D+01 -0.122871D+01  0.318948D+00
               201           202           203           204           205 
      1  -0.122871D+01  0.173533D+01 -0.697687D+00  0.596181D+00 -0.257838D+01
      2   0.318948D+00 -0.697687D+00  0.374839D+00 -0.117741D+01  0.629008D-01
      3  -0.164225D+01  0.596181D+00 -0.117741D+01  0.172629D+01 -0.274194D+01
               206           207           208           209           210 
      1   0.629008D-01 -0.274194D+01 -0.763834D+01  0.106799D+01  0.276473D+01
      2  -0.130588D+01  0.136002D+01  0.106799D+01 -0.901250D+00 -0.498367D+00
      3   0.136002D+01 -0.579687D+01  0.276473D+01 -0.498367D+00 -0.180947D+01
               211           212           213           214           215 
      1   0.330139D+01 -0.179304D+01 -0.859914D+00  0.599552D+01 -0.651192D+00
      2  -0.179304D+01  0.331821D+00  0.585793D+00 -0.651192D+00  0.909211D+00
      3  -0.859914D+00  0.585793D+00  0.105160D+01 -0.287927D+01  0.735222D+00
               216           217           218           219           220 
      1  -0.287927D+01 -0.133383D+01 -0.106680D+01  0.192073D+00 -0.323848D+01
      2   0.735222D+00 -0.106680D+01 -0.918173D+00 -0.715806D-01 -0.381909D+01
      3   0.228129D+01  0.192073D+00 -0.715806D-01 -0.201038D+00 -0.533454D+00
               221           222           223           224           225 
      1  -0.381909D+01 -0.533454D+00  0.399641D+00 -0.251210D+00 -0.909878D+00
      2  -0.842907D+01 -0.791837D+00 -0.251210D+00 -0.456556D+00 -0.811870D+00
      3  -0.791837D+00 -0.979356D+00 -0.909878D+00 -0.811870D+00 -0.494753D+00
               226           227           228           229           230 
      1   0.286274D+01  0.245123D+01 -0.111523D+01  0.197102D+01  0.161955D+01
      2   0.245123D+01  0.284907D+01 -0.732730D+00  0.161955D+01  0.461367D+01
      3  -0.111523D+01 -0.732730D+00  0.105992D+01 -0.884880D+00 -0.116654D+01
               231           232           233           234 
      1  -0.884880D+00 -0.190720D+01 -0.133652D+01  0.160959D+01
      2  -0.116654D+01 -0.133652D+01 -0.353607D+01  0.129481D+01
      3   0.794225D+00  0.160959D+01  0.129481D+01 -0.192661D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.195127D+01 -0.184457D+01  0.311830D+01  0.697649D+00 -0.385401D+01
      2  -0.688486D+01  0.744545D+01 -0.478710D+01  0.660386D+01  0.517558D+01
      3   0.887728D+01 -0.889867D+01 -0.732193D+01 -0.296418D+01  0.594508D+01
                 6             7             8             9            10 
      1  -0.938844D+00  0.386850D+01  0.992084D+01  0.282855D+01 -0.193807D+01
      2  -0.253660D+00 -0.102685D+02 -0.616979D+01 -0.181986D+00  0.205385D+01
      3  -0.168671D+01 -0.104014D+02 -0.292333D+01 -0.304068D+01 -0.907453D+00
                11            12            13            14            15 
      1  -0.323156D+01 -0.441716D+01 -0.316387D+01 -0.113749D+02 -0.428125D+01
      2  -0.233682D+01  0.138579D+00 -0.330426D+01  0.236952D+01  0.767657D+00
      3   0.824963D+01  0.488429D+01  0.120896D+02 -0.538380D+01 -0.240050D+00
                16            17            18            19            20 
      1  -0.525003D+01  0.562717D+01  0.156837D+02 -0.236884D+01  0.242845D+01
      2  -0.491556D+01  0.560530D+00 -0.561298D+01  0.166649D+01  0.699689D+01
      3   0.677168D+01  0.417523D+00  0.329658D+01  0.426140D+01 -0.186055D+01
                21            22            23            24            25 
      1  -0.641750D+01 -0.123651D+01 -0.926168D+01  0.724019D+01 -0.893743D+01
      2  -0.534188D+01  0.313934D+01 -0.787223D+01  0.812551D+01 -0.146377D+02
      3  -0.475122D+01  0.116998D+02 -0.176245D+02  0.807117D+01  0.995659D+00
                26            27            28            29            30 
      1   0.143628D+02  0.196689D+01 -0.884146D+01 -0.513812D+00  0.562333D+01
      2   0.775817D+01 -0.217361D+01 -0.801923D+01  0.392787D+01  0.733050D+01
      3   0.317473D+01 -0.123552D+00  0.855753D+01 -0.143068D+02  0.417784D+01
                31            32            33            34            35 
      1  -0.356887D+01  0.114803D+02 -0.884111D+01  0.170210D+01 -0.239367D+00
      2  -0.277787D+01  0.159253D+02 -0.853726D+01 -0.146511D+01 -0.435249D+01
      3  -0.480656D+00  0.492367D+01 -0.124922D+02  0.923789D+01 -0.174857D+02
                36            37            38            39            40 
      1   0.314978D+01 -0.870356D+00 -0.208008D+01  0.301319D+01 -0.482844D+01
      2  -0.224754D+01  0.123113D+02 -0.810091D+01 -0.261070D+01 -0.382399D+01
      3   0.216975D+01 -0.247606D+01  0.322813D+00  0.156436D+01  0.890789D+01
                41            42            43            44            45 
      1   0.815090D+01 -0.953920D+01  0.681651D+01 -0.480045D+01 -0.253688D+01
      2   0.364626D+01 -0.199169D+01 -0.171950D+02  0.472308D+01  0.406638D+01
      3  -0.470457D+01 -0.178735D+01  0.272636D+01  0.733468D+00 -0.226999D+01
                46            47            48            49            50 
      1   0.406296D+01 -0.403245D+00 -0.165388D+01 -0.181996D+01 -0.423243D+01
      2  -0.151195D+02  0.166032D+01  0.942376D+01  0.364905D+01 -0.105711D+01
      3   0.458635D+01 -0.110129D+02 -0.215499D+01 -0.151874D+01 -0.145890D+02
                51            52            53            54            55 
      1  -0.120498D+01 -0.398111D+01  0.810250D+01  0.852638D+00  0.377492D+01
      2  -0.372130D+01  0.482731D+01 -0.830677D+01  0.413807D+01  0.265481D+01
      3  -0.163656D+01 -0.577786D+01  0.115335D+01  0.799170D+01 -0.337966D+01
                56            57            58            59            60 
      1   0.168002D+01  0.542579D+01  0.236258D+01  0.453895D+01 -0.495168D+01
      2   0.231841D+01  0.395765D+01  0.151667D+01  0.236056D+01 -0.162491D+01
      3  -0.434233D+01 -0.415028D+01  0.359498D+01  0.140364D+02 -0.227241D+01
                61            62            63            64            65 
      1   0.318209D+01  0.229055D+01 -0.119153D+02 -0.192316D+01  0.368105D+01
      2  -0.121402D+01 -0.224168D+01 -0.572774D+01 -0.179077D+01 -0.557288D+01
      3  -0.559087D+01 -0.434704D+01 -0.346426D+01  0.123285D+01 -0.726899D+01
                66            67            68            69            70 
      1  -0.105694D+02  0.707374D+01 -0.899030D+01  0.451977D+01 -0.752984D+01
      2   0.119668D+02 -0.272251D+01 -0.732049D+01  0.926637D+01  0.418166D+01
      3   0.799962D+01 -0.188524D+01 -0.808630D+00  0.325202D+01  0.530855D+01
                71            72            73            74            75 
      1   0.762505D+01  0.887037D+01 -0.304817D+01  0.490644D+00 -0.299514D+01
      2   0.708615D+01  0.704125D+01  0.269582D+01  0.157669D+01  0.621865D+01
      3   0.143179D+01  0.179396D+01  0.391199D+01 -0.392204D+01  0.225774D+01
                76            77            78            79            80 
      1   0.250264D+00  0.415721D-01 -0.150657D+00 -0.323707D+01  0.111051D+01
      2  -0.611039D+00  0.513374D+00 -0.886463D+00  0.314939D+01  0.219429D+01
      3  -0.270301D+00  0.222017D+01 -0.108591D+01  0.476401D+01 -0.239699D+01
                81            82            83            84            85 
      1  -0.454001D+01  0.170700D+01  0.189974D+01  0.859470D-01  0.129429D+01
      2   0.911924D+01 -0.100106D+01 -0.108981D+01  0.151011D+01 -0.177127D+01
      3   0.251012D+01  0.207406D+01  0.216850D-01 -0.646724D+00  0.579556D+01
                86            87            88            89            90 
      1   0.971426D+01 -0.481833D+01  0.149944D+00 -0.232827D+01  0.150888D+00
      2  -0.144293D+01  0.860786D+00 -0.670035D-01  0.498327D+00  0.175857D+00
      3  -0.279251D+01  0.369674D+00 -0.196704D+01  0.642551D+00 -0.601976D+00
                91            92            93            94            95 
      1  -0.245977D+01 -0.467109D+00  0.289986D+01 -0.677706D+00 -0.151829D+01
      2   0.140329D+01  0.500995D+00 -0.702659D+00  0.122636D+01  0.654700D+00
      3  -0.224994D+01 -0.223421D+01  0.170505D+01 -0.606288D+00  0.107668D+01
                96            97            98            99           100 
      1   0.138910D+01  0.251257D+01  0.163382D+01 -0.183795D+02  0.790660D+01
      2  -0.519731D+00 -0.552397D+01  0.817081D+00  0.582458D+01  0.109911D+02
      3  -0.594375D+00  0.375373D+01 -0.742211D+00 -0.223403D+01 -0.111361D+02
               101           102           103           104           105 
      1  -0.111478D+01  0.347232D+01  0.298300D+00  0.357419D+00 -0.142219D+00
      2  -0.497118D+01  0.843248D+01  0.125272D+01 -0.130475D+01  0.412532D+00
      3  -0.308767D+01 -0.381433D+01 -0.119934D+01  0.105843D+01 -0.477623D-01
               106           107           108           109           110 
      1   0.342786D+01  0.717827D+00  0.158398D+01  0.201283D+01 -0.193441D+01
      2   0.254392D+01  0.213992D+01  0.517308D+01 -0.180913D+00 -0.283983D+01
      3  -0.908947D+01  0.112556D+01 -0.196739D+01  0.253524D+01  0.349637D+01
               111           112           113           114           115 
      1  -0.180932D+01  0.151945D+01 -0.281755D+01 -0.557339D+01 -0.209956D+01
      2  -0.847793D+00 -0.135493D+01 -0.744727D+01 -0.387561D+01 -0.882533D+00
      3   0.258534D+01  0.187229D+01  0.198030D+02  0.804283D+01  0.112861D+01
               116           117           118           119           120 
      1   0.121363D+01 -0.339782D+01  0.714414D+00  0.669572D+00 -0.104154D+00
      2  -0.502481D+01 -0.244717D+01 -0.541946D+00 -0.518307D+00  0.958721D+00
      3   0.124238D+02  0.424272D+01  0.229831D-01 -0.974760D+00 -0.198626D+00
               121           122           123           124           125 
      1  -0.372225D+00  0.592764D+01 -0.118788D+01 -0.253244D-01  0.353406D+01
      2  -0.293181D+01 -0.229853D+00  0.300180D+00 -0.254820D+01 -0.507043D+00
      3   0.504463D+01  0.155775D-01  0.191251D+00  0.131763D+01  0.154504D+00
               126           127           128           129           130 
      1  -0.850887D+00 -0.932451D+01  0.218418D+01  0.280373D+01  0.606882D+01
      2  -0.403832D+00  0.141442D+02  0.119979D+01  0.101610D+02  0.239216D+01
      3   0.230027D+00  0.246580D+01  0.147593D+01  0.702254D+01  0.602292D+01
               131           132           133           134           135 
      1   0.151882D+02 -0.941482D+01  0.330382D+01 -0.527224D+00 -0.659332D+01
      2  -0.211986D+01  0.271636D+01  0.534604D+01  0.337806D+01 -0.433694D+01
      3   0.752474D+01 -0.122097D+01  0.686933D+01  0.212641D+00 -0.613203D+01
               136           137           138           139           140 
      1  -0.241252D+01 -0.103898D+00  0.270548D+01 -0.132549D+01 -0.151017D+01
      2   0.126853D+02 -0.191984D+01 -0.821988D+01 -0.303306D+01 -0.198490D+01
      3  -0.864098D+01  0.568122D+01  0.356333D+01  0.160509D+02  0.207455D+02
               141           142           143           144           145 
      1  -0.532042D+01  0.433786D+01 -0.899845D+00  0.422748D+01 -0.170943D+01
      2   0.940722D+01 -0.199126D+02  0.911094D+01 -0.113094D+02 -0.432703D-01
      3   0.370467D+01  0.401836D+01  0.290413D+01 -0.119843D+02 -0.743450D+01
               146           147           148           149           150 
      1   0.281665D+00  0.312332D+01  0.444482D+00 -0.149194D+01 -0.415065D+01
      2   0.617948D+00  0.345201D+01 -0.560640D+00 -0.570707D+00 -0.233177D+01
      3  -0.103415D+01  0.946657D+00  0.489570D+01  0.167924D+00  0.227955D+00
               151           152           153           154           155 
      1   0.178333D+01 -0.726745D+00 -0.595998D+00  0.307442D+01  0.301512D+01
      2  -0.295627D+00 -0.124827D+01 -0.522624D+00 -0.101645D+02  0.351954D+00
      3   0.170244D+01  0.112402D+01 -0.173385D+00 -0.603403D+01 -0.190396D+01
               156           157           158           159           160 
      1   0.425964D+01  0.104184D+01  0.135852D+01 -0.592959D+00  0.335527D+01
      2  -0.266227D+01 -0.562386D+00 -0.690783D+00 -0.738206D+00 -0.667941D+01
      3  -0.339385D+01  0.974923D+00 -0.525953D-01 -0.391010D+00 -0.333978D+01
               161           162           163           164           165 
      1   0.246943D+01  0.359181D+01 -0.170910D+01 -0.481898D+01 -0.399959D+00
      2  -0.126369D+00 -0.243189D+01  0.975392D+01  0.502655D+01 -0.408825D+01
      3  -0.117846D+01 -0.323249D+01  0.594371D+01  0.171605D+01 -0.353549D+01
               166           167           168           169           170 
      1  -0.227414D+01 -0.387457D+01 -0.142361D+01  0.383266D+00  0.238111D+01
      2   0.445998D+01  0.505880D+01 -0.320609D+01 -0.465386D+01 -0.325840D+01
      3   0.467357D+01  0.208492D+01 -0.241067D+01 -0.279413D+01 -0.489168D+00
               171           172           173           174           175 
      1   0.911396D-01  0.424982D+01  0.352506D+01  0.235069D+01  0.234306D+01
      2   0.294080D+01 -0.185294D+02 -0.179984D+01 -0.350142D+01 -0.211444D+01
      3   0.233576D+01 -0.735658D+01 -0.226354D+01 -0.256074D+01  0.573429D+00
               176           177           178           179           180 
      1   0.101470D+01  0.318973D+00  0.227302D+01  0.216281D+01  0.239313D+01
      2  -0.172759D+01 -0.673505D+00 -0.653993D+01 -0.759918D+00 -0.414304D+01
      3  -0.106478D+01 -0.123013D-01 -0.246408D+01 -0.860931D+00 -0.158525D+01
               181           182           183           184           185 
      1  -0.113546D+01 -0.183797D+01 -0.593836D+00 -0.323537D+01 -0.164499D+02
      2  -0.824846D+00  0.100225D+01  0.598124D+00  0.279194D+01 -0.391408D+00
      3  -0.130045D+01 -0.114976D+01  0.119005D+00  0.307369D+01 -0.926909D+01
               186           187           188           189           190 
      1  -0.125351D+01 -0.469621D+00  0.549765D+00 -0.117414D+01  0.537532D+01
      2   0.200722D+01 -0.956903D+00  0.248513D+00  0.390190D+00  0.408880D+01
      3   0.248801D+01 -0.188247D+00 -0.340118D+00 -0.204374D+00  0.382976D+01
               191           192           193           194           195 
      1  -0.395072D+01 -0.516836D+01 -0.307079D+01  0.223664D+01  0.345685D+01
      2  -0.111184D+01  0.631920D+00 -0.236618D+01  0.210282D-01 -0.125475D+01
      3  -0.358331D+01 -0.363575D+01 -0.160379D+01  0.138467D+01  0.221167D+01
               196           197           198           199           200 
      1  -0.427225D+01  0.458074D+01  0.751157D+01 -0.162797D+01  0.784735D+00
      2  -0.500687D+01 -0.308592D-02 -0.952194D+00  0.305259D+01 -0.100517D+00
      3  -0.297705D+01  0.226019D+01  0.392355D+01  0.294429D+01 -0.194316D+01
               201           202           203           204           205 
      1  -0.994349D+00  0.455332D+00 -0.172208D+01  0.146246D+01 -0.135291D+01
      2   0.494590D+01  0.629662D+00  0.359471D+01 -0.655058D+01  0.308174D+01
      3   0.160165D+01 -0.118693D+01  0.223008D+01 -0.416286D+01  0.113870D+01
               206           207           208           209           210 
      1   0.465763D+01 -0.532467D+01  0.186330D+01 -0.920931D+00 -0.904161D+00
      2  -0.554108D+01  0.181474D+02 -0.999146D+01  0.179118D+01  0.982104D+01
      3  -0.574301D+01  0.661046D+01  0.850086D+01 -0.645201D+01 -0.316752D+01
               211           212           213           214           215 
      1  -0.362082D+00  0.861574D+00 -0.301517D+00 -0.186474D+01  0.169655D+01
      2   0.336661D+01 -0.232487D+01 -0.446254D+01  0.849680D+01 -0.287728D+01
      3  -0.505738D+01  0.234852D+01  0.213641D+01 -0.464931D+01  0.458624D+01
               216           217           218           219           220 
      1   0.939396D+00  0.546787D+00  0.377619D+00 -0.491257D+00  0.365249D+00
      2  -0.897368D+01 -0.684355D+00 -0.292379D-01  0.191577D+01  0.451288D+00
      3   0.422433D+01 -0.279055D+01 -0.371554D+01 -0.543535D+00 -0.511907D+01
               221           222           223           224           225 
      1   0.268105D+01 -0.384567D+01 -0.495186D+00  0.464671D+00 -0.409090D+00
      2   0.118678D+01  0.377041D+01  0.173484D+01  0.149215D+01  0.121907D+01
      3  -0.243003D+02 -0.189268D+01 -0.106305D+01 -0.166984D+01 -0.150483D+01
               226           227           228           229           230 
      1   0.212919D+01  0.220420D+01 -0.236315D+01  0.157281D+01  0.297220D+01
      2  -0.357770D+01 -0.345134D+01  0.468935D+01 -0.354528D+01 -0.402184D+01
      3  -0.196031D+01 -0.240019D+01  0.867332D+00  0.255541D+01 -0.905086D+01
               231           232           233           234 
      1  -0.384508D+01 -0.165857D+01 -0.418882D+01  0.245656D+01
      2   0.299380D+01  0.346769D+01  0.448502D+01 -0.691443D+01
      3   0.138138D+01  0.569386D+00  0.583228D+01 -0.810387D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.796578D+01 -0.103647D+02 -0.691848D+01 -0.275430D+01 -0.209064D+00
      2   0.713302D+01  0.629252D+01  0.946441D+01  0.679227D+00  0.112906D+01
      3   0.832759D+00  0.407222D+01 -0.254593D+01  0.207508D+01 -0.919995D+00
      4  -0.814452D+01 -0.183896D+02  0.264433D+01 -0.462859D+01 -0.240800D+02
      5  -0.101373D+02  0.412506D+00 -0.173978D+02  0.678644D+01  0.476818D+01
      6  -0.167910D+01  0.824493D+01 -0.228297D+01  0.484189D+01  0.406985D+01
                 6             7             8             9            10 
      1   0.829208D+01 -0.873357D+01  0.809886D+01 -0.137997D+02 -0.576937D+01
      2  -0.242547D+01  0.127158D+02  0.523964D-01  0.116313D+02  0.514946D+01
      3  -0.586661D+01 -0.398227D+01 -0.815125D+01  0.216845D+01  0.619910D+00
      4   0.768247D+01  0.797900D+01  0.188590D+02 -0.113866D+02 -0.124150D+01
      5   0.144488D+01 -0.218625D+02 -0.511288D+01 -0.879052D+01  0.227966D+01
      6  -0.281817D+01 -0.604084D+01 -0.715369D+01 -0.523690D+00  0.763918D+01
                11            12            13            14            15 
      1   0.934745D+01 -0.153253D+01  0.136022D+02  0.226954D+02 -0.259177D+01
      2  -0.136039D+02 -0.238400D+00 -0.162518D+02 -0.457462D+02  0.496529D+00
      3   0.425642D+01  0.177093D+01  0.264961D+01  0.230508D+02  0.209524D+01
      4  -0.340952D+01  0.211156D+01  0.257131D+01 -0.141565D+02 -0.589126D+00
      5   0.136475D+01  0.851620D+00  0.165000D+01 -0.367164D+01  0.963566D+00
      6  -0.183448D+01  0.714994D+01 -0.363482D+01 -0.327661D+01  0.448544D+01
                16            17            18            19            20 
      1  -0.215828D+01 -0.463875D+01  0.155412D+02 -0.178467D+02  0.939991D+01
      2  -0.341439D+01  0.116939D+02  0.800407D+01 -0.750198D+01  0.123836D+02
      3   0.557267D+01 -0.705510D+01 -0.235452D+02  0.253487D+02 -0.217835D+02
      4   0.196134D+01 -0.228868D+01  0.388392D+01  0.577961D+02 -0.407282D+02
      5   0.438363D+01  0.796036D+00  0.321660D+01  0.249269D+02 -0.732833D+01
      6   0.604855D+01  0.139469D+01 -0.185662D+02 -0.116226D+02  0.232648D+01
                21            22            23            24            25 
      1   0.135623D+02  0.240438D+02 -0.187565D+02 -0.116703D+02 -0.173074D+01
      2  -0.992257D+01 -0.252069D+01 -0.763060D+01  0.164009D+02 -0.610059D+00
      3  -0.363977D+01 -0.215231D+02  0.263871D+02 -0.473063D+01  0.234080D+01
      4  -0.791123D+01 -0.499882D+02  0.639167D+02 -0.319899D+00 -0.356976D+01
      5  -0.100125D+02 -0.194116D+02  0.384153D+01  0.166387D+02  0.107448D+02
      6   0.107294D+02  0.829625D+01  0.335336D+01 -0.624987D+01  0.383945D+00
                26            27            28            29            30 
      1  -0.332295D+01 -0.391014D+01  0.788399D+01 -0.111296D+02 -0.245838D+02
      2   0.702412D+01 -0.853574D+01  0.480624D+01 -0.869264D+01  0.164291D+02
      3  -0.370117D+01  0.124459D+02 -0.126902D+02  0.198222D+02  0.815472D+01
      4  -0.327419D+01  0.848518D+01 -0.380815D+02  0.467740D+02  0.212613D+02
      5   0.120776D+01 -0.484294D+01 -0.451632D+02  0.179919D+02  0.188260D+02
      6   0.723564D+01 -0.108294D+01  0.223847D+02 -0.128870D+02 -0.102429D+02
                31            32            33            34            35 
      1  -0.159018D+02  0.208195D+02  0.182191D+02 -0.381439D+02  0.259646D+02
      2  -0.994200D+01  0.706988D+01 -0.237844D+02  0.250746D+02 -0.308642D+02
      3   0.258438D+02 -0.278894D+02  0.556529D+01  0.130693D+02  0.489953D+01
      4   0.561033D+02 -0.544220D+02  0.922138D+01  0.170943D+02  0.124212D+02
      5   0.957335D+01  0.102396D+02 -0.136384D+02  0.257303D+02 -0.196195D+02
      6  -0.552221D+01 -0.213419D+02  0.830500D+01 -0.155618D+02  0.149873D+02
                36            37            38            39            40 
      1   0.330941D+01  0.523917D+01 -0.669897D+01  0.263176D+01 -0.119165D+02
      2  -0.470706D+01  0.598143D+01  0.451338D+00 -0.531914D+01 -0.600925D+00
      3   0.139765D+01 -0.112206D+02  0.624763D+01  0.268738D+01  0.125174D+02
      4  -0.185284D+02 -0.331769D+02  0.107181D+02  0.455218D+01  0.646053D+01
      5  -0.114850D+02 -0.461881D+01  0.263715D-01 -0.847694D+00  0.415923D+01
      6  -0.158769D+01  0.530220D+01 -0.861285D+01 -0.367186D+01 -0.904142D+01
                41            42            43            44            45 
      1   0.269364D+02  0.724504D+01  0.175725D+02  0.501730D+01  0.401744D+01
      2  -0.658267D+01 -0.358331D+01 -0.112490D+02 -0.743432D+01 -0.852573D-01
      3  -0.203537D+02 -0.366173D+01 -0.632355D+01  0.241702D+01 -0.393218D+01
      4  -0.102567D+02 -0.204767D+01  0.140785D+02 -0.596661D+01 -0.655899D+01
      5  -0.640782D+01  0.304014D+01 -0.776624D+01  0.379194D+01 -0.196188D+01
      6  -0.249780D+01 -0.212918D+02 -0.141070D+01 -0.172964D+02 -0.142317D+01
                46            47            48            49            50 
      1  -0.165830D+02 -0.650286D+01 -0.145295D+02 -0.267924D+01 -0.671609D-01
      2   0.149093D+01  0.371966D+01  0.126762D+02  0.732840D+01  0.827119D+00
      3   0.150921D+02  0.278320D+01  0.185335D+01 -0.464916D+01 -0.759958D+00
      4   0.261212D+01  0.380398D+01 -0.919893D+01  0.426488D+00  0.212202D+02
      5  -0.158020D+02 -0.139035D+01  0.890865D+01 -0.708312D+00 -0.157856D+01
      6  -0.621532D+01  0.338642D+00  0.370879D+01  0.101372D+01 -0.829395D+01
                51            52            53            54            55 
      1  -0.709709D+01 -0.194469D+02 -0.498261D+01  0.101781D+02 -0.364859D+01
      2  -0.382970D+01  0.145506D+02  0.211542D+01 -0.702608D+01 -0.885663D+01
      3   0.109268D+02  0.489621D+01  0.286719D+01 -0.315204D+01  0.125052D+02
      4  -0.163417D+01 -0.205038D+02 -0.174775D+00  0.160016D+01  0.189909D+02
      5  -0.519614D+01  0.115600D+02 -0.532003D+01  0.244585D+01  0.496576D+01
      6   0.295463D+01  0.398630D+01 -0.104424D+01  0.960681D+00 -0.556500D+01
                56            57            58            59            60 
      1   0.277171D+01  0.403743D+01 -0.317717D+01 -0.141521D+02  0.124120D+01
      2   0.128049D+02 -0.531046D+01  0.111727D+02  0.641787D+01  0.110998D+01
      3  -0.155766D+02  0.127303D+01 -0.799554D+01  0.773424D+01 -0.235119D+01
      4  -0.232789D+02 -0.520057D+01 -0.225508D+02  0.106728D+02  0.609209D+01
      5  -0.366989D+01 -0.621639D+00 -0.669307D+01  0.655331D+01  0.254133D+01
      6  -0.145695D+01 -0.907757D+01  0.793738D+00  0.381372D+01 -0.911041D+00
                61            62            63            64            65 
      1   0.329705D+01  0.408255D+01  0.307676D+01  0.684874D+01  0.102195D+02
      2  -0.223154D+01 -0.970782D+01  0.525810D+01  0.632251D+01 -0.702845D+01
      3  -0.106551D+01  0.562527D+01 -0.833486D+01 -0.131712D+02 -0.319103D+01
      4  -0.144218D+01  0.851973D+01 -0.272524D+01  0.197995D+00 -0.509085D+01
      5   0.917047D+00  0.184411D+00 -0.105096D+01 -0.529494D+01  0.769739D+01
      6  -0.528208D+01  0.276207D+01  0.118712D+02  0.127619D+02  0.159896D+02
                66            67            68            69            70 
      1  -0.393084D+01  0.168942D+02 -0.105975D+02 -0.175175D+01  0.442921D+00
      2   0.152723D+02 -0.443724D+01  0.419750D+01 -0.696741D+01  0.120727D+02
      3  -0.113414D+02 -0.124570D+02  0.640000D+01  0.871916D+01 -0.125156D+02
      4   0.768674D+01 -0.374316D+01 -0.397124D+01  0.361867D+01 -0.263934D+00
      5  -0.176289D+02  0.163253D+01  0.928834D+01 -0.986201D+01 -0.156649D+02
      6  -0.139132D+01  0.142844D+02 -0.131633D+02 -0.356621D+00  0.222228D+01
                71            72            73            74            75 
      1  -0.571621D+01 -0.604298D+01  0.241697D+02  0.262034D+01  0.116900D+02
      2   0.568235D+00 -0.226567D+01 -0.184534D+02 -0.220690D+01 -0.121635D+02
      3   0.514798D+01  0.830864D+01 -0.571628D+01 -0.413432D+00  0.473552D+00
      4   0.615140D+01  0.317823D+01  0.871318D+01  0.929566D+01  0.578532D+01
      5  -0.274457D+01 -0.532293D+01  0.210102D+02  0.358569D+01  0.185680D+02
      6  -0.317662D+01  0.223485D+01  0.266689D+01  0.138542D+01  0.360521D+01
                76            77            78            79            80 
      1  -0.459706D+01  0.128574D+01 -0.262415D+01  0.143215D+02 -0.408596D+00
      2   0.434007D+01 -0.723312D+00  0.343432D+01 -0.157403D+02 -0.398371D+00
      3   0.256983D+00 -0.562427D+00 -0.810169D+00  0.141882D+01  0.806967D+00
      4   0.616633D+01  0.943265D+00  0.271019D+01  0.681503D+01  0.334052D+01
      5  -0.309151D+01  0.380274D+01 -0.241197D+01  0.231603D+02  0.516159D+01
      6   0.230962D+01 -0.656344D-01  0.384213D+01  0.393279D+01  0.476199D+01
                81            82            83            84            85 
      1   0.786200D+01 -0.500686D+00 -0.279149D+01 -0.361040D+00 -0.426370D+01
      2  -0.166940D+02  0.691233D+01  0.895794D+01  0.995548D+00  0.106664D+02
      3   0.883196D+01 -0.641164D+01 -0.616645D+01 -0.634508D+00 -0.640269D+01
      4   0.820450D+01  0.702516D+01  0.143621D+02  0.856537D+00  0.113644D+02
      5   0.266399D+02  0.154497D+01  0.234785D+01  0.196400D+01  0.200445D+01
      6   0.530667D+01  0.906985D+00  0.260695D+01  0.662549D+00  0.332811D+01
                86            87            88            89            90 
      1  -0.407723D+02 -0.369683D+01  0.388211D+00  0.283857D+01 -0.564399D+01
      2   0.750810D+02  0.356473D+01 -0.871306D+00 -0.799712D+01  0.481588D+01
      3  -0.343088D+02  0.132096D+00  0.483095D+00  0.515854D+01  0.828110D+00
      4   0.230679D+02  0.206046D+01 -0.143837D+01 -0.242669D+01  0.148123D+01
      5   0.309290D+01  0.177881D+01  0.101192D+01  0.203559D+01 -0.185114D+00
      6   0.146447D+02  0.898056D+01  0.408563D+00  0.864122D+01  0.177692D+01
                91            92            93            94            95 
      1  -0.978336D+00  0.983728D+00  0.339094D+01 -0.168126D+01 -0.584943D+01
      2  -0.363120D+01 -0.249520D+00 -0.150845D+00  0.781497D+00  0.540683D+01
      3   0.460954D+01 -0.734208D+00 -0.324010D+01  0.899767D+00  0.442598D+00
      4  -0.187808D+01  0.315024D+01  0.305646D+01  0.534809D+00 -0.240819D+00
      5  -0.206132D+01  0.928460D+00  0.651885D+01 -0.361342D+00 -0.156014D+00
      6   0.228263D+01 -0.245107D+01 -0.483232D+01 -0.108548D+01  0.366117D+01
                96            97            98            99           100 
      1  -0.167877D+01  0.440377D+01 -0.852449D+01 -0.259571D+02  0.630172D+02
      2   0.355062D+01  0.104702D+01  0.301834D+01 -0.130882D+02 -0.289316D+02
      3  -0.187186D+01 -0.545079D+01  0.550615D+01  0.390453D+02 -0.340856D+02
      4  -0.223325D+00  0.350596D+01  0.304110D+00 -0.111548D+00 -0.331913D+02
      5  -0.550877D+00  0.500413D+01  0.620093D+00  0.226217D+01  0.188692D+02
      6   0.512889D+01 -0.271759D+01  0.124396D+02  0.299900D+02 -0.109305D+02
               101           102           103           104           105 
      1  -0.113896D+02  0.160275D+02 -0.121462D+01  0.494175D+01  0.105106D+01
      2   0.182960D+01 -0.807069D+01 -0.366074D+01  0.252923D+01 -0.357146D+00
      3   0.956002D+01 -0.795686D+01  0.487536D+01 -0.747099D+01 -0.693918D+00
      4   0.179170D+02 -0.103662D+02  0.133320D+02 -0.102227D+02 -0.252519D+00
      5  -0.610869D+01  0.111927D+02  0.341374D+01 -0.121972D+01 -0.355122D+00
      6   0.408421D+01 -0.594810D+01 -0.445573D+00  0.156005D+01  0.164603D+01
               106           107           108           109           110 
      1   0.323859D+02 -0.797215D+01  0.840460D+01  0.368815D+01 -0.992668D+01
      2  -0.178785D+02  0.391691D+01 -0.672202D+01  0.213709D+01  0.657975D+01
      3  -0.145074D+02  0.405525D+01 -0.168258D+01 -0.582524D+01  0.334694D+01
      4  -0.143308D+02  0.277947D+01 -0.337128D+01 -0.559955D+01  0.482301D+01
      5   0.950184D+01  0.676955D-01  0.934432D+01  0.152345D+01 -0.257599D+01
      6  -0.384371D+01  0.116289D+01 -0.328567D+01  0.129239D+00  0.627766D+01
               111           112           113           114           115 
      1  -0.270991D+01 -0.292832D+01 -0.257052D+02 -0.106565D+02  0.944744D+00
      2   0.271126D+01 -0.230711D+01  0.428556D+02  0.133741D+02 -0.254011D+01
      3  -0.134826D-02  0.523543D+01 -0.171503D+02 -0.271755D+01  0.159537D+01
      4  -0.239630D+01  0.127189D+02 -0.317799D+02 -0.116975D+02 -0.134615D+00
      5  -0.921725D+00  0.344298D+01 -0.140400D+02 -0.838673D+01 -0.158572D-03
      6   0.351961D+01 -0.378053D+01  0.224754D+02  0.131393D+02  0.765347D+00
               116           117           118           119           120 
      1  -0.165380D+02 -0.931434D+01 -0.102036D+00 -0.138019D+01 -0.149536D+01
      2   0.212940D+02  0.740940D+01  0.147345D+00  0.415164D+00  0.202310D+00
      3  -0.475602D+01  0.190494D+01 -0.453093D-01  0.965029D+00  0.129305D+01
      4  -0.118840D+02 -0.403257D+01  0.252314D+01  0.762947D+01  0.365890D+01
      5  -0.560162D+01 -0.404496D+01  0.825213D+00  0.470759D+01  0.573043D+01
      6   0.117031D+02  0.922460D+01  0.493434D+01  0.193066D+01  0.299145D+01
               121           122           123           124           125 
      1  -0.327351D+01 -0.184371D+02 -0.132634D+02 -0.716008D+00 -0.104942D+02
      2   0.177712D+01  0.152018D+02  0.579433D+01  0.610734D+00  0.239118D+01
      3   0.149639D+01  0.323533D+01  0.746907D+01  0.105273D+00  0.810305D+01
      4   0.633591D+01  0.518668D+01  0.293642D+01  0.821001D+00  0.213680D+01
      5   0.347010D+01  0.156600D+01  0.206565D+01  0.327942D+01  0.152398D+01
      6   0.224745D+01  0.228396D+02  0.192836D+02  0.260997D+01  0.167764D+02
               126           127           128           129           130 
      1  -0.150876D+02  0.124079D+02  0.362211D+01  0.746552D+01  0.626136D+01
      2  -0.112545D+01  0.110339D+02 -0.632895D+01 -0.137409D+02 -0.133477D+02
      3   0.162131D+02 -0.234419D+02  0.270684D+01  0.627537D+01  0.708632D+01
      4   0.336193D+01  0.729266D+01  0.518752D+00  0.409826D+01 -0.134622D+01
      5   0.129643D+01  0.685775D+01 -0.485450D+01 -0.212058D+02 -0.612984D+01
      6   0.165613D+02 -0.562160D-02  0.364549D+01  0.235138D+01  0.585084D+01
               131           132           133           134           135 
      1   0.977058D+01  0.300847D+01  0.616301D+01  0.590347D+01 -0.132209D+02
      2  -0.249007D+02  0.143702D+02 -0.119018D+02  0.575518D+01  0.129021D+02
      3   0.151301D+02 -0.173786D+02  0.573876D+01 -0.116587D+02  0.318855D+00
      4  -0.187750D+02  0.215850D+01  0.576782D+01 -0.125208D+00  0.182373D+01
      5   0.451971D+01  0.107355D+02 -0.216142D+02  0.598819D+01  0.108793D+02
      6   0.221703D+02  0.997162D+00  0.885694D+00  0.493588D+01 -0.133115D+02
               136           137           138           139           140 
      1   0.665563D-01  0.170268D+02  0.257127D+02  0.236093D+02  0.476262D-01
      2   0.248080D+01 -0.129686D+02 -0.125856D+02 -0.210770D+02 -0.147074D+02
      3  -0.254736D+01 -0.405816D+01 -0.131270D+02 -0.253233D+01  0.146597D+02
      4   0.158897D+02 -0.638125D+01  0.289516D+01 -0.123288D+02 -0.366882D+02
      5   0.272125D+02 -0.845857D+00 -0.141430D+02 -0.272620D+01 -0.419358D+01
      6   0.441839D+01 -0.846916D+00 -0.139870D+01 -0.171735D+01 -0.607583D+01
               141           142           143           144           145 
      1  -0.459500D+00  0.322414D+02 -0.156751D+01 -0.194453D+02  0.156336D+02
      2  -0.190609D+01 -0.159777D+02 -0.249028D+01  0.166417D+02  0.403566D+01
      3   0.236559D+01 -0.162637D+02  0.405780D+01  0.280359D+01 -0.196692D+02
      4  -0.346031D+01  0.425393D+01 -0.361536D+01  0.118182D+02 -0.316684D+02
      5   0.147772D+02 -0.207598D+02  0.137252D+02 -0.158479D+02 -0.416930D+01
      6   0.201681D+01 -0.211689D+01  0.267696D+01 -0.195060D+01  0.197931D+01
               146           147           148           149           150 
      1  -0.525871D+01 -0.193628D+01 -0.977271D+00 -0.451231D+01 -0.528577D+00
      2  -0.117073D+02  0.111523D+00 -0.125125D+02  0.230949D+02  0.297320D+01
      3   0.169660D+02  0.182476D+01  0.134898D+02 -0.185826D+02 -0.244463D+01
      4   0.289264D+02  0.392301D+01  0.244170D+02 -0.274618D+02 -0.351253D+01
      5   0.240033D+01  0.569080D+01  0.192530D+01 -0.266482D+01 -0.237278D+01
      6  -0.178616D+01 -0.311078D+01 -0.144887D+01  0.244850D+01  0.644837D+01
               151           152           153           154           155 
      1  -0.150806D+01 -0.509574D+00 -0.110689D+01  0.326518D+01  0.242761D+01
      2  -0.645022D-02  0.335193D+01  0.240820D+01 -0.128287D+02  0.680014D-01
      3   0.151451D+01 -0.284236D+01 -0.130131D+01  0.956352D+01 -0.249561D+01
      4   0.387517D+01 -0.399222D+01 -0.550624D+01 -0.464422D+01  0.441318D+01
      5   0.588890D+01 -0.458574D+01 -0.228892D+01  0.203638D+02 -0.517964D+01
      6  -0.419002D+01  0.819486D+01  0.994298D+00 -0.928027D+01  0.497605D+01
               156           157           158           159           160 
      1  -0.405692D+01 -0.141671D+01 -0.563363D+00  0.929774D+00 -0.319090D+01
      2  -0.126921D+02 -0.663342D+00 -0.106060D+01 -0.167018D+01 -0.111632D+02
      3   0.167490D+02  0.208005D+01  0.162396D+01  0.740409D+00  0.143541D+02
      4  -0.556766D+01  0.511095D+01 -0.153098D+01  0.265974D+01 -0.421782D+01
      5   0.195528D+02 -0.122321D+01  0.333690D+01 -0.964646D+00  0.172631D+02
      6  -0.992135D+01  0.288938D+01 -0.226031D+01  0.714294D+01 -0.697125D+01
               161           162           163           164           165 
      1   0.382074D+01 -0.115553D+02 -0.356469D+01 -0.792785D+01  0.886644D+01
      2   0.942494D+00 -0.167290D+02 -0.129864D+01  0.444967D+01  0.125639D+01
      3  -0.476324D+01  0.282843D+02  0.486333D+01  0.347818D+01 -0.101228D+02
      4   0.213514D+01 -0.385742D+01  0.850236D+01  0.836602D+01 -0.700804D+01
      5  -0.318660D+01  0.207070D+02 -0.116634D+02 -0.788331D+01  0.128801D+02
      6   0.772678D+01 -0.130000D+02 -0.100978D+02 -0.139243D+02  0.129445D+02
               166           167           168           169           170 
      1  -0.517716D+01 -0.106641D+02  0.955030D+01  0.386772D+01  0.775517D+01
      2   0.293997D+01  0.100334D+02 -0.187323D+01  0.717886D+00 -0.228405D+00
      3   0.223719D+01  0.630745D+00 -0.767707D+01 -0.458560D+01 -0.752676D+01
      4   0.764231D+01  0.612143D+01 -0.495580D+01 -0.458231D+01 -0.420876D+01
      5  -0.554982D+01 -0.693458D+01  0.523381D+01  0.897068D+01  0.492866D+01
      6  -0.896417D+01 -0.144215D+02  0.151901D+02  0.634965D+01  0.124022D+02
               171           172           173           174           175 
      1  -0.111680D+02 -0.475981D+01  0.805391D+00 -0.104094D+02 -0.110417D+01
      2  -0.339016D+01 -0.440752D+01 -0.740354D+00 -0.380462D+01  0.140215D+01
      3   0.145581D+02  0.916734D+01 -0.650364D-01  0.142140D+02 -0.297980D+00
      4   0.464668D+01 -0.933167D+01  0.389494D+00 -0.198211D+01  0.141176D+01
      5  -0.795330D+01  0.132989D+02  0.166669D+01  0.806662D+01  0.166335D+01
      6  -0.151298D+02  0.996195D-01  0.415665D+01 -0.543215D+01  0.219806D+01
               176           177           178           179           180 
      1  -0.299441D+01 -0.567964D+00 -0.621981D+01 -0.937404D-01 -0.641292D+01
      2   0.353159D+01 -0.264740D+01 -0.282714D+01 -0.124454D+01 -0.622720D+01
      3  -0.537183D+00  0.321537D+01  0.904695D+01  0.133828D+01  0.126401D+02
      4   0.109104D+01  0.177905D+00 -0.229733D+01  0.382487D+00 -0.319448D+01
      5   0.172148D+01 -0.168296D+01  0.982361D+01  0.243895D-01  0.515588D+01
      6  -0.160096D+01  0.237464D+01 -0.233388D+01  0.258976D+01 -0.180881D+01
               181           182           183           184           185 
      1  -0.570467D+00  0.149497D+01 -0.521395D+00 -0.846934D+00 -0.210362D+02
      2   0.182729D+01  0.166564D+01  0.154360D+01  0.553381D+01  0.381759D+02
      3  -0.125682D+01 -0.316061D+01 -0.102220D+01 -0.468687D+01 -0.171397D+02
      4   0.437577D+01  0.841860D+01 -0.249225D+01  0.106583D+02  0.216834D+02
      5  -0.268022D+01 -0.332029D+01  0.493468D+01 -0.446259D+01 -0.609066D+01
      6  -0.313786D+01 -0.331549D+01  0.124468D+01 -0.621672D+01 -0.306649D+02
               186           187           188           189           190 
      1   0.830393D+01  0.370789D+00  0.204838D+01 -0.256818D+01  0.860678D+01
      2  -0.581779D+01  0.186777D+01  0.154211D+01  0.118778D+01 -0.173759D+02
      3  -0.248615D+01 -0.223856D+01 -0.359049D+01  0.138041D+01  0.876907D+01
      4  -0.551481D+01  0.764631D-01  0.687838D+00  0.216290D+01  0.263039D+01
      5   0.421029D+01  0.315833D+01  0.143064D+01 -0.194861D+01 -0.236146D+02
      6   0.140259D+02  0.124625D+01  0.675889D+01 -0.319039D+01 -0.299338D+00
               191           192           193           194           195 
      1  -0.208480D+01 -0.144546D+01 -0.321639D+01 -0.795949D+00 -0.162429D+01
      2   0.376497D+01  0.171051D+02  0.692753D+01 -0.979352D+00 -0.879989D+01
      3  -0.168017D+01 -0.156596D+02 -0.371113D+01  0.177530D+01  0.104242D+02
      4   0.372378D+01 -0.327144D+01  0.289523D+01 -0.710838D+00 -0.301831D+01
      5   0.279270D+01  0.253036D+02  0.863128D+01 -0.575583D+01 -0.100255D+02
      6  -0.516365D+01  0.188222D+01 -0.438886D+01  0.188828D+01  0.531012D+01
               196           197           198           199           200 
      1  -0.115044D+01 -0.427843D+00 -0.666241D+01  0.910821D+01 -0.422872D+01
      2   0.138900D+02 -0.369639D+01 -0.225109D+02 -0.804735D+01  0.330746D+01
      3  -0.127395D+02  0.412423D+01  0.291733D+02 -0.106086D+01  0.921264D+00
      4  -0.225406D+01 -0.272444D+01  0.178206D+01 -0.304896D+01  0.297373D+01
      5   0.204474D+02 -0.314951D+01 -0.266656D+02  0.876333D+01 -0.315391D+01
      6   0.648343D+00  0.540962D+01 -0.809264D+00 -0.547636D+00  0.503025D+00
               201           202           203           204           205 
      1   0.609390D+01 -0.975555D+01  0.102019D+01 -0.216520D+01  0.128176D+02
      2  -0.643008D+01  0.655596D+01 -0.382186D+00  0.365480D+01 -0.111505D+02
      3   0.336179D+00  0.319960D+01 -0.638008D+00 -0.148959D+01 -0.166711D+01
      4  -0.178145D+01  0.448682D+01 -0.209588D+01  0.621290D+01  0.149563D+00
      5   0.142249D+02 -0.524146D+01  0.605256D+01 -0.101628D+02  0.207518D+02
      6   0.567269D+00  0.885188D+00 -0.138644D+01  0.244214D+01  0.239995D+01
               206           207           208           209           210 
      1  -0.537453D+00  0.691509D+01  0.548655D+02 -0.927455D+01 -0.184411D+02
      2   0.355795D+01 -0.172855D+02 -0.299947D+02  0.573802D+01  0.104623D+02
      3  -0.302050D+01  0.103704D+02 -0.248708D+02  0.353653D+01  0.797887D+01
      4   0.794585D+01 -0.537623D+01 -0.255422D+01  0.848870D+01  0.112747D+01
      5  -0.734686D+01  0.340363D+02 -0.197595D+02  0.305382D+01  0.156785D+02
      6   0.281653D+01  0.347664D+01 -0.198756D+01  0.386178D-01  0.186132D+01
               211           212           213           214           215 
      1  -0.194603D+02  0.735670D+01  0.473808D+01 -0.339124D+02  0.402495D+01
      2   0.113964D+02 -0.199586D+01 -0.275279D+01  0.199073D+02 -0.258770D+01
      3   0.806386D+01 -0.536084D+01 -0.198528D+01  0.140051D+02 -0.143724D+01
      4   0.109800D+02 -0.253612D+01 -0.416401D+01 -0.709668D+00 -0.641725D+01
      5   0.618111D+01 -0.405097D+01 -0.704678D+01  0.219546D+02 -0.484646D+01
      6  -0.809671D+00  0.143240D+01  0.131571D+01  0.169225D+01  0.119950D+01
               216           217           218           219           220 
      1   0.148283D+02  0.710798D+01  0.575319D+01 -0.111491D+01  0.976151D+01
      2  -0.121428D+02 -0.258130D+00 -0.572960D+00  0.920381D+00  0.459522D+01
      3  -0.268555D+01 -0.684985D+01 -0.518023D+01  0.194531D+00 -0.143567D+02
      4  -0.275506D+01  0.845317D+01  0.123826D+02  0.105652D+01  0.270462D+02
      5  -0.167916D+02 -0.616529D+00  0.169955D+01  0.324303D+01  0.412964D+01
      6  -0.124970D+01  0.796999D+00  0.870370D+00  0.289101D+00  0.333755D+01
               221           222           223           224           225 
      1  -0.442659D+01  0.236185D+00 -0.290433D+01 -0.313191D+00  0.109148D+01
      2   0.266695D+02  0.899028D+00  0.132273D+01  0.757880D+00  0.430258D+00
      3  -0.222429D+02 -0.113521D+01  0.158160D+01 -0.444689D+00 -0.152173D+01
      4   0.494686D+02  0.448061D+01  0.112904D+01  0.292765D+01  0.453528D+01
      5   0.471518D+01  0.659483D+01  0.633038D+01  0.445037D+01  0.292024D+01
      6   0.785080D+01  0.679924D+01  0.294157D+01  0.645793D+01  0.165266D+01
               226           227           228           229           230 
      1   0.161734D+02  0.116214D+02 -0.510390D+01  0.760195D+01  0.280904D+01
      2  -0.576863D+01 -0.289631D+01  0.108490D+01  0.359755D+00  0.620051D+01
      3  -0.104048D+02 -0.872511D+01  0.401899D+01 -0.796171D+01 -0.900955D+01
      4   0.194096D+02  0.229881D+02 -0.638942D+01  0.157678D+02  0.274082D+02
      5  -0.656989D+01 -0.321668D+01  0.742289D+01 -0.306455D+01 -0.673422D+01
      6  -0.493371D+01 -0.509591D+01  0.380262D+01 -0.492983D+01 -0.601083D+01
               231           232           233           234 
      1  -0.320452D+01 -0.959554D+01 -0.427281D+01  0.548537D+01
      2  -0.167703D+01  0.359099D+01 -0.209831D+01 -0.333976D+01
      3   0.488155D+01  0.600455D+01  0.637112D+01 -0.214561D+01
      4  -0.833068D+01 -0.117625D+02 -0.214930D+02  0.104400D+02
      5   0.263202D+01  0.962989D+01  0.742872D+01 -0.943305D+01
      6   0.657795D+01  0.579878D+01  0.842170D+01 -0.598220D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:37:36 2021, MaxMem=  5637144576 cpu:           41596.0 elap:            5212.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18134 -10.17572 -10.17393 -10.17280 -10.17011
 Alpha  occ. eigenvalues --  -10.16727 -10.16518 -10.15821 -10.15343 -10.14947
 Alpha  occ. eigenvalues --   -0.88358  -0.78874  -0.75491  -0.73721  -0.68433
 Alpha  occ. eigenvalues --   -0.66099  -0.62125  -0.59412  -0.54743  -0.49630
 Alpha  occ. eigenvalues --   -0.47995  -0.47810  -0.44748  -0.43471  -0.42965
 Alpha  occ. eigenvalues --   -0.40930  -0.39777  -0.39309  -0.38176  -0.37461
 Alpha  occ. eigenvalues --   -0.36987  -0.35414  -0.34103  -0.32102  -0.30288
 Alpha  occ. eigenvalues --   -0.29777  -0.28386  -0.24005
 Alpha virt. eigenvalues --   -0.00030   0.00429   0.01977   0.02113   0.02356
 Alpha virt. eigenvalues --    0.04154   0.04522   0.04730   0.05643   0.06212
 Alpha virt. eigenvalues --    0.06819   0.07938   0.08389   0.09173   0.09765
 Alpha virt. eigenvalues --    0.09979   0.10671   0.11603   0.12034   0.12998
 Alpha virt. eigenvalues --    0.13513   0.13862   0.14634   0.14817   0.15357
 Alpha virt. eigenvalues --    0.16189   0.17012   0.17270   0.17744   0.18582
 Alpha virt. eigenvalues --    0.18773   0.19560   0.19859   0.20326   0.20583
 Alpha virt. eigenvalues --    0.21099   0.21387   0.21788   0.22271   0.22558
 Alpha virt. eigenvalues --    0.22951   0.23077   0.23884   0.24222   0.24748
 Alpha virt. eigenvalues --    0.24793   0.25145   0.25978   0.26096   0.26966
 Alpha virt. eigenvalues --    0.27290   0.27395   0.28395   0.28620   0.29052
 Alpha virt. eigenvalues --    0.29250   0.29906   0.30012   0.30679   0.30939
 Alpha virt. eigenvalues --    0.31368   0.31492   0.31870   0.32033   0.33061
 Alpha virt. eigenvalues --    0.33372   0.33608   0.33715   0.34175   0.34728
 Alpha virt. eigenvalues --    0.35171   0.35309   0.35641   0.36206   0.36256
 Alpha virt. eigenvalues --    0.36670   0.37570   0.37725   0.38662   0.38941
 Alpha virt. eigenvalues --    0.39449   0.39861   0.40027   0.40455   0.40864
 Alpha virt. eigenvalues --    0.41439   0.41844   0.42364   0.43208   0.43610
 Alpha virt. eigenvalues --    0.43947   0.44110   0.44637   0.45327   0.45655
 Alpha virt. eigenvalues --    0.45932   0.46304   0.46939   0.47325   0.47615
 Alpha virt. eigenvalues --    0.48090   0.48606   0.49001   0.49720   0.49793
 Alpha virt. eigenvalues --    0.50395   0.51003   0.51771   0.52389   0.52461
 Alpha virt. eigenvalues --    0.53505   0.53786   0.54502   0.55295   0.55547
 Alpha virt. eigenvalues --    0.55774   0.55939   0.57082   0.57323   0.58061
 Alpha virt. eigenvalues --    0.58645   0.58846   0.60125   0.60410   0.60433
 Alpha virt. eigenvalues --    0.61117   0.61190   0.62303   0.63310   0.63674
 Alpha virt. eigenvalues --    0.63887   0.64283   0.64840   0.65788   0.66066
 Alpha virt. eigenvalues --    0.66648   0.66848   0.67127   0.67642   0.67762
 Alpha virt. eigenvalues --    0.68360   0.68890   0.69197   0.69927   0.70401
 Alpha virt. eigenvalues --    0.70867   0.71188   0.71710   0.71883   0.72119
 Alpha virt. eigenvalues --    0.72886   0.73499   0.73787   0.73898   0.74653
 Alpha virt. eigenvalues --    0.75277   0.75444   0.75738   0.76733   0.77031
 Alpha virt. eigenvalues --    0.77830   0.78189   0.79374   0.79781   0.80490
 Alpha virt. eigenvalues --    0.80851   0.81445   0.82011   0.82453   0.82736
 Alpha virt. eigenvalues --    0.83281   0.84086   0.85267   0.85865   0.86500
 Alpha virt. eigenvalues --    0.87361   0.88565   0.90293   0.90621   0.91341
 Alpha virt. eigenvalues --    0.93417   0.93970   0.94544   0.96115   0.96922
 Alpha virt. eigenvalues --    0.97275   0.97649   0.98597   1.02119   1.02603
 Alpha virt. eigenvalues --    1.03903   1.05776   1.06511   1.07829   1.10079
 Alpha virt. eigenvalues --    1.10809   1.11792   1.12784   1.14304   1.15250
 Alpha virt. eigenvalues --    1.17704   1.19832   1.21506   1.21652   1.22462
 Alpha virt. eigenvalues --    1.25517   1.25947   1.28060   1.28304   1.30601
 Alpha virt. eigenvalues --    1.31490   1.32303   1.33189   1.34099   1.35594
 Alpha virt. eigenvalues --    1.37503   1.38770   1.39273   1.40572   1.41402
 Alpha virt. eigenvalues --    1.42463   1.44106   1.44493   1.44668   1.46845
 Alpha virt. eigenvalues --    1.47044   1.48127   1.49321   1.51001   1.53305
 Alpha virt. eigenvalues --    1.54024   1.55542   1.56260   1.59776   1.61179
 Alpha virt. eigenvalues --    1.62559   1.63867   1.64630   1.65894   1.67286
 Alpha virt. eigenvalues --    1.70548   1.70780   1.74165   1.81213   1.82329
 Alpha virt. eigenvalues --    1.83968   1.84801   1.86240   1.86510   1.87471
 Alpha virt. eigenvalues --    1.88730   1.89368   1.89901   1.90694   1.91910
 Alpha virt. eigenvalues --    1.92073   1.92998   1.94778   1.95130   1.96347
 Alpha virt. eigenvalues --    1.97887   1.98305   1.98830   1.99419   2.01452
 Alpha virt. eigenvalues --    2.02238   2.02991   2.03711   2.04819   2.06280
 Alpha virt. eigenvalues --    2.07227   2.09183   2.11383   2.12782   2.13432
 Alpha virt. eigenvalues --    2.14731   2.16257   2.17683   2.20255   2.20825
 Alpha virt. eigenvalues --    2.22022   2.25121   2.25894   2.27931   2.28773
 Alpha virt. eigenvalues --    2.31632   2.34589   2.36085   2.36794   2.37929
 Alpha virt. eigenvalues --    2.39446   2.40792   2.41928   2.43298   2.46318
 Alpha virt. eigenvalues --    2.47090   2.49342   2.50903   2.51879   2.53004
 Alpha virt. eigenvalues --    2.54856   2.55220   2.56482   2.58250   2.60842
 Alpha virt. eigenvalues --    2.61861   2.62300   2.63645   2.64914   2.66309
 Alpha virt. eigenvalues --    2.67427   2.68216   2.68949   2.70697   2.71436
 Alpha virt. eigenvalues --    2.72304   2.73753   2.75255   2.76175   2.78372
 Alpha virt. eigenvalues --    2.78407   2.80107   2.80625   2.81058   2.83621
 Alpha virt. eigenvalues --    2.84310   2.84973   2.86735   2.87494   2.89970
 Alpha virt. eigenvalues --    2.91256   2.92721   2.93060   2.94193   2.94853
 Alpha virt. eigenvalues --    2.95809   2.97264   2.99300   3.00770   3.02270
 Alpha virt. eigenvalues --    3.03461   3.03520   3.05389   3.06222   3.08704
 Alpha virt. eigenvalues --    3.10281   3.10959   3.11347   3.14845   3.17088
 Alpha virt. eigenvalues --    3.17561   3.20070   3.21166   3.21616   3.22498
 Alpha virt. eigenvalues --    3.23853   3.25001   3.26026   3.28233   3.30123
 Alpha virt. eigenvalues --    3.31331   3.32317   3.34447   3.36312   3.37302
 Alpha virt. eigenvalues --    3.37601   3.37772   3.40518   3.40759   3.42377
 Alpha virt. eigenvalues --    3.43212   3.44312   3.45138   3.45392   3.46781
 Alpha virt. eigenvalues --    3.48518   3.49105   3.50176   3.52293   3.53960
 Alpha virt. eigenvalues --    3.54860   3.56728   3.57601   3.58214   3.61053
 Alpha virt. eigenvalues --    3.61848   3.63330   3.64098   3.65077   3.66559
 Alpha virt. eigenvalues --    3.68905   3.70410   3.73187   3.74070   3.75184
 Alpha virt. eigenvalues --    3.76279   3.77646   3.79654   3.80576   3.81551
 Alpha virt. eigenvalues --    3.83062   3.85395   3.85982   3.88146   3.89723
 Alpha virt. eigenvalues --    3.91607   3.94234   3.96487   3.97919   3.98820
 Alpha virt. eigenvalues --    4.02029   4.04499   4.06218   4.07890   4.11882
 Alpha virt. eigenvalues --    4.14579   4.16735   4.17537   4.18287   4.20434
 Alpha virt. eigenvalues --    4.21413   4.22838   4.23320   4.25755   4.28211
 Alpha virt. eigenvalues --    4.28752   4.32503   4.34251   4.34766   4.36158
 Alpha virt. eigenvalues --    4.39371   4.42153   4.44155   4.45881   4.48679
 Alpha virt. eigenvalues --    4.52041   4.54003   4.55244   4.56628   4.58458
 Alpha virt. eigenvalues --    4.59009   4.62045   4.63279   4.65893   4.69792
 Alpha virt. eigenvalues --    4.75983   4.76469   4.78492   4.81930   4.85995
 Alpha virt. eigenvalues --    4.90953   4.91703   4.95048   4.99398   5.01553
 Alpha virt. eigenvalues --    5.04892   5.11835   5.15558   5.16897   5.21961
 Alpha virt. eigenvalues --    5.25026   5.28853   5.32188   5.33559   5.53219
 Alpha virt. eigenvalues --   22.63331  22.65740  22.71236  22.73413  22.78848
 Alpha virt. eigenvalues --   22.90127  22.98488  23.10957  23.18900  23.28864
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.298633  -0.382289  -0.102955  -0.491531  -0.658015   0.368281
     2  C   -0.382289   7.013244   0.298399   0.056016   0.073406  -0.212661
     3  C   -0.102955   0.298399   7.871430   0.185997  -1.904306  -0.161540
     4  C   -0.491531   0.056016   0.185997   7.169815  -0.558962  -0.078683
     5  C   -0.658015   0.073406  -1.904306  -0.558962   9.396459  -0.581481
     6  C    0.368281  -0.212661  -0.161540  -0.078683  -0.581481   6.819314
     7  C    0.058599  -0.525906   0.082142   0.090325  -0.217001  -0.273231
     8  C    0.042410   0.040041   0.011601   0.031820  -0.260304  -0.202270
     9  H    0.294666   0.047893  -0.014990  -0.044903   0.020702  -0.012407
    10  H   -0.055672   0.399145   0.007635   0.004832   0.022683  -0.022293
    11  H   -0.007769   0.296917  -0.010023   0.002323  -0.001649  -0.011314
    12  H   -0.006217   0.004825  -0.026150   0.405338   0.008157  -0.002849
    13  H   -0.003318  -0.002171  -0.051574   0.409089   0.013529   0.003567
    14  H    0.057287  -0.012373  -0.083848  -0.037975   0.114797   0.068218
    15  C   -0.035951   0.034385  -0.031974  -0.008684   0.143719  -0.898558
    16  C   -0.011221  -0.031113  -0.101653   0.002556  -0.035268  -0.484542
    17  H    0.056703  -0.230859  -0.000474  -0.003116   0.073601   0.046782
    18  H    0.022112  -0.000923   0.024172  -0.001281  -0.083969   0.030124
    19  H    0.021536  -0.013987  -0.003687   0.007512  -0.037782   0.002402
    20  H    0.030134   0.031224  -0.003314  -0.020836  -0.046099  -0.182493
    21  H    0.002682   0.008169  -0.012338  -0.013011  -0.023662  -0.019219
    22  H    0.007039  -0.037821   0.001459   0.011422  -0.017609   0.160076
    23  H   -0.001037  -0.007691  -0.028774  -0.000734  -0.025008  -0.043608
    24  H   -0.000050   0.007532  -0.002188   0.000908   0.034283  -0.003206
    25  H    0.000997   0.000016   0.024404  -0.000303  -0.029537   0.005787
    26  H    0.376504  -0.166837  -0.138318  -0.004336   0.067881  -0.000974
               7          8          9         10         11         12
     1  C    0.058599   0.042410   0.294666  -0.055672  -0.007769  -0.006217
     2  C   -0.525906   0.040041   0.047893   0.399145   0.296917   0.004825
     3  C    0.082142   0.011601  -0.014990   0.007635  -0.010023  -0.026150
     4  C    0.090325   0.031820  -0.044903   0.004832   0.002323   0.405338
     5  C   -0.217001  -0.260304   0.020702   0.022683  -0.001649   0.008157
     6  C   -0.273231  -0.202270  -0.012407  -0.022293  -0.011314  -0.002849
     7  C    6.899476  -0.200419  -0.025325  -0.072161   0.046885  -0.003504
     8  C   -0.200419   7.154479   0.000294   0.021279  -0.006830  -0.000483
     9  H   -0.025325   0.000294   0.529084   0.010879  -0.030823   0.002878
    10  H   -0.072161   0.021279   0.010879   0.483668  -0.021374   0.000219
    11  H    0.046885  -0.006830  -0.030823  -0.021374   0.481921   0.000142
    12  H   -0.003504  -0.000483   0.002878   0.000219   0.000142   0.371778
    13  H    0.002637   0.004485  -0.001807  -0.000010  -0.000299  -0.000194
    14  H    0.053451  -0.133397  -0.001516  -0.000901   0.000065  -0.001994
    15  C   -0.089580   0.031417   0.008347   0.004967   0.002995  -0.000068
    16  C   -0.096239   0.017383  -0.000408  -0.000048   0.004324   0.000390
    17  H    0.277903  -0.166335  -0.001216  -0.016466  -0.007593  -0.000011
    18  H   -0.055187   0.338772  -0.001196  -0.004670  -0.001135   0.000092
    19  H    0.035227   0.265332  -0.003303  -0.002247  -0.001310   0.000184
    20  H   -0.040873   0.012244   0.004069   0.000977  -0.022266   0.000161
    21  H   -0.005477   0.004610  -0.000234   0.000500  -0.000216  -0.000572
    22  H   -0.003584  -0.009021  -0.002616  -0.001689   0.009184   0.000264
    23  H   -0.042390  -0.044251  -0.000030   0.000230   0.000688  -0.000036
    24  H   -0.012312   0.018194  -0.000070  -0.000058  -0.000618   0.000033
    25  H    0.031371   0.009927   0.000063   0.000071   0.000306  -0.000048
    26  H    0.061664  -0.002317  -0.042726  -0.022091   0.014086  -0.003827
              13         14         15         16         17         18
     1  C   -0.003318   0.057287  -0.035951  -0.011221   0.056703   0.022112
     2  C   -0.002171  -0.012373   0.034385  -0.031113  -0.230859  -0.000923
     3  C   -0.051574  -0.083848  -0.031974  -0.101653  -0.000474   0.024172
     4  C    0.409089  -0.037975  -0.008684   0.002556  -0.003116  -0.001281
     5  C    0.013529   0.114797   0.143719  -0.035268   0.073601  -0.083969
     6  C    0.003567   0.068218  -0.898558  -0.484542   0.046782   0.030124
     7  C    0.002637   0.053451  -0.089580  -0.096239   0.277903  -0.055187
     8  C    0.004485  -0.133397   0.031417   0.017383  -0.166335   0.338772
     9  H   -0.001807  -0.001516   0.008347  -0.000408  -0.001216  -0.001196
    10  H   -0.000010  -0.000901   0.004967  -0.000048  -0.016466  -0.004670
    11  H   -0.000299   0.000065   0.002995   0.004324  -0.007593  -0.001135
    12  H   -0.000194  -0.001994  -0.000068   0.000390  -0.000011   0.000092
    13  H    0.377425  -0.002009  -0.003836   0.000759  -0.000017   0.000163
    14  H   -0.002009   0.663616  -0.006974  -0.015970   0.013643   0.003305
    15  C   -0.003836  -0.006974   8.064524  -0.284001  -0.012109   0.003073
    16  C    0.000759  -0.015970  -0.284001   7.547938  -0.057400   0.022317
    17  H   -0.000017   0.013643  -0.012109  -0.057400   0.818898  -0.012243
    18  H    0.000163   0.003305   0.003073   0.022317  -0.012243   0.470436
    19  H    0.000387  -0.001688  -0.004298   0.011570  -0.001253   0.010401
    20  H   -0.000152  -0.002044   0.433652  -0.028074  -0.004532   0.000474
    21  H   -0.000429   0.011784   0.369243  -0.017908  -0.000292   0.000856
    22  H    0.000291  -0.000391   0.156616   0.022419   0.014553   0.000402
    23  H   -0.000103   0.001289  -0.024091   0.467836   0.004842  -0.002274
    24  H    0.000070  -0.004857  -0.025727   0.320332  -0.008758   0.003719
    25  H    0.000084  -0.001583  -0.003647   0.280149  -0.003205   0.004022
    26  H    0.002042   0.002721   0.006069  -0.000168   0.005004  -0.001508
              19         20         21         22         23         24
     1  C    0.021536   0.030134   0.002682   0.007039  -0.001037  -0.000050
     2  C   -0.013987   0.031224   0.008169  -0.037821  -0.007691   0.007532
     3  C   -0.003687  -0.003314  -0.012338   0.001459  -0.028774  -0.002188
     4  C    0.007512  -0.020836  -0.013011   0.011422  -0.000734   0.000908
     5  C   -0.037782  -0.046099  -0.023662  -0.017609  -0.025008   0.034283
     6  C    0.002402  -0.182493  -0.019219   0.160076  -0.043608  -0.003206
     7  C    0.035227  -0.040873  -0.005477  -0.003584  -0.042390  -0.012312
     8  C    0.265332   0.012244   0.004610  -0.009021  -0.044251   0.018194
     9  H   -0.003303   0.004069  -0.000234  -0.002616  -0.000030  -0.000070
    10  H   -0.002247   0.000977   0.000500  -0.001689   0.000230  -0.000058
    11  H   -0.001310  -0.022266  -0.000216   0.009184   0.000688  -0.000618
    12  H    0.000184   0.000161  -0.000572   0.000264  -0.000036   0.000033
    13  H    0.000387  -0.000152  -0.000429   0.000291  -0.000103   0.000070
    14  H   -0.001688  -0.002044   0.011784  -0.000391   0.001289  -0.004857
    15  C   -0.004298   0.433652   0.369243   0.156616  -0.024091  -0.025727
    16  C    0.011570  -0.028074  -0.017908   0.022419   0.467836   0.320332
    17  H   -0.001253  -0.004532  -0.000292   0.014553   0.004842  -0.008758
    18  H    0.010401   0.000474   0.000856   0.000402  -0.002274   0.003719
    19  H    0.449723   0.000251   0.000302   0.000277  -0.007632   0.002023
    20  H    0.000251   0.532831  -0.004154  -0.090325  -0.003634  -0.001029
    21  H    0.000302  -0.004154   0.390277  -0.018345  -0.001511  -0.007903
    22  H    0.000277  -0.090325  -0.018345   0.470756   0.003755   0.003764
    23  H   -0.007632  -0.003634  -0.001511   0.003755   0.511124  -0.027131
    24  H    0.002023  -0.001029  -0.007903   0.003764  -0.027131   0.353186
    25  H    0.002358   0.001962   0.007470  -0.008186  -0.033774   0.020320
    26  H   -0.001948  -0.006521   0.000642   0.001471   0.000345  -0.000061
              25         26
     1  C    0.000997   0.376504
     2  C    0.000016  -0.166837
     3  C    0.024404  -0.138318
     4  C   -0.000303  -0.004336
     5  C   -0.029537   0.067881
     6  C    0.005787  -0.000974
     7  C    0.031371   0.061664
     8  C    0.009927  -0.002317
     9  H    0.000063  -0.042726
    10  H    0.000071  -0.022091
    11  H    0.000306   0.014086
    12  H   -0.000048  -0.003827
    13  H    0.000084   0.002042
    14  H   -0.001583   0.002721
    15  C   -0.003647   0.006069
    16  C    0.280149  -0.000168
    17  H   -0.003205   0.005004
    18  H    0.004022  -0.001508
    19  H    0.002358  -0.001948
    20  H    0.001962  -0.006521
    21  H    0.007470   0.000642
    22  H   -0.008186   0.001471
    23  H   -0.033774   0.000345
    24  H    0.020320  -0.000061
    25  H    0.355622  -0.000049
    26  H   -0.000049   0.577999
 Mulliken charges:
               1
     1  C   -0.881558
     2  C   -0.686577
     3  C    0.170865
     4  C   -1.113597
     5  C    0.511438
     6  C    1.686782
     7  C    0.023510
     8  C   -0.978660
     9  H    0.264696
    10  H    0.262600
    11  H    0.263385
    12  H    0.251494
    13  H    0.251391
    14  H    0.317344
    15  C   -1.829508
    16  C   -1.533963
    17  H    0.213952
    18  H    0.229947
    19  H    0.269649
    20  H    0.408369
    21  H    0.328736
    22  H    0.325840
    23  H    0.303600
    24  H    0.329604
    25  H    0.335406
    26  H    0.275253
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.341609
     2  C   -0.160592
     3  C    0.170865
     4  C   -0.610712
     5  C    0.828783
     6  C    1.686782
     7  C    0.237462
     8  C   -0.479063
    15  C   -0.766563
    16  C   -0.565353
 Electronic spatial extent (au):  <R**2>=           1339.0057
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4338    Y=              0.5811    Z=              0.1199  Tot=              0.7350
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.8528   YY=            -64.1544   ZZ=            -64.9787
   XY=              1.0407   XZ=              1.1944   YZ=              0.4891
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1908   YY=              0.5076   ZZ=             -0.3168
   XY=              1.0407   XZ=              1.1944   YZ=              0.4891
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0627  YYY=              0.0111  ZZZ=              0.7682  XYY=             -0.0750
  XXY=              3.3672  XXZ=              4.3387  XZZ=             -2.7070  YZZ=              2.0400
  YYZ=             -2.8825  XYZ=             -1.0549
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -939.7167 YYYY=           -550.2362 ZZZZ=           -424.6947 XXXY=             -3.0764
 XXXZ=             11.4598 YYYX=              5.0500 YYYZ=              5.6613 ZZZX=              7.6782
 ZZZY=              2.4578 XXYY=           -248.0770 XXZZ=           -225.6646 YYZZ=           -167.0924
 XXYZ=             -4.2807 YYXZ=             -3.8117 ZZXY=              1.9764
 N-N= 5.709563421127D+02 E-N=-2.046756731040D+03  KE= 3.886499891309D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:37:37 2021, MaxMem=  5637144576 cpu:               3.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1476   -0.1454       -4.0775   -4.0743
 2      0.1476    0.1454       -0.5739   -0.5741       -4.5425   -4.5299
 3      4.0775    4.0743       12.5429   12.5327        0.5802    0.5741
 4      0.5739    0.5741        0.0000    0.0000        4.0753    4.0743
 5     -8.0003   -8.0028       -4.0753   -4.0743       -0.1432   -0.1454
 6     -0.5802   -0.5741        0.1432    0.1454        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4361    0.4361      -12.2228  -12.2228
 2      1.7223    1.7223        0.0000    0.0000      -12.2228  -12.2228
 3      1.7223    1.7223        0.4361    0.4361        0.0000    0.0000
 4      0.4361    0.4361       -1.7223   -1.7223      -13.5897  -13.5897
 5     12.2228   12.2228       37.5981   37.5981        1.7223    1.7223
 6    -24.0084  -24.0084      -12.2228  -12.2228       -0.4361   -0.4361
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0581    0.0000        0.5407    0.5814       16.4470   16.2970
 2     -0.6277   -0.5814        2.2292    2.2963       18.0055   18.1196
 3    -16.5979  -16.2970      -50.1394  -50.1308       -2.3541   -2.2963
 4     -2.3482   -2.2963       -0.0088    0.0000      -16.1876  -16.2970
 5     32.1520   32.0112       16.4625   16.2970        0.5772    0.5814
 6      2.5543    2.2963       -0.5127   -0.5814        0.0173    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1498    0.0000       13.8080   13.8029       -4.3091   -4.3993
 2    -14.0344  -13.8029      -17.6047  -17.6116        3.4651    3.6766
 3      4.6533    4.3993      -22.2065  -22.3187       17.6321   17.6116
 4     17.6835   17.6116        0.1496    0.0000        4.3427    4.3993
 5     19.3146   18.6421       -4.1296   -4.3993       13.8601   13.8029
 6    -17.5049  -17.6116      -13.9526  -13.8029        0.1088    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     53.5767   53.2895       76.9293   76.7420       10.8054   10.6247
 2     82.8748   82.6211       72.8709   72.4748       10.6563   10.6247
 3     82.8421   82.6211       77.0375   76.7420       13.0188   12.9681
 4      4.1721    4.2672      -29.3588  -29.3316        5.1475    5.2885
 5      2.6213    2.3434      -32.4264  -32.7231       29.3596   29.3316
 6     27.8208   27.4347       -2.1467   -2.3434       -4.3850   -4.2672
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.6154                 1.2026                 0.6527
  Dep-P Fr= 1--      0.7295                 0.6532                 0.7331
  Dep-U Fr= 1--      0.8436                 0.7902                 0.8460
 Alpha2 Fr= 1--      0.0013                 0.0021                 0.0002
 Beta2  Fr= 1--      0.5083                 0.1584                 0.0920
 AlphaG Fr= 1--      0.0011                -0.0069                 0.0011
 Gamma2 Fr= 1--      0.9538                -0.3295                -0.1228
 Delta2 Fr= 1--     -0.2761                -0.1105                 0.0418
 Raman1 Fr= 1--      14.462                  4.810                  2.611
 ROA1   Fr= 1--      82.731                -35.167                -10.453
 CID1   Fr= 1--       5.721                 -7.311                 -4.004
 Raman2 Fr= 1--       6.100                  1.901                  1.104
 ROA2   Fr= 1--      25.100                 -7.025                 -3.282
 CID2   Fr= 1--       4.115                 -3.696                 -2.972
 Raman3 Fr= 1--      12.200                  3.801                  2.209
 ROA3   Fr= 1--      82.731                -35.167                -10.453
 CID3   Fr= 1--       6.781                 -9.252                 -4.733
 RC180  Fr= 1--       0.687                  0.580                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.2879                 0.2900                 0.3678
  Dep-P Fr= 1--      0.5807                 0.5895                 0.5226
  Dep-U Fr= 1--      0.7347                 0.7418                 0.6864
 Alpha2 Fr= 1--      0.0009                 0.0009                 0.0016
 Beta2  Fr= 1--      0.0353                 0.0358                 0.0421
 AlphaG Fr= 1--      0.0006                 0.0103                -0.0095
 Gamma2 Fr= 1--     -0.2794                 0.1307                 0.0244
 Delta2 Fr= 1--     -0.2420                -0.1075                 0.1835
 Raman1 Fr= 1--       1.152                  1.160                  1.471
 ROA1   Fr= 1--     -34.570                  9.104                  8.209
 CID1   Fr= 1--     -30.019                  7.849                  5.580
 Raman2 Fr= 1--       0.423                  0.430                  0.505
 ROA2   Fr= 1--      -4.771                  3.997                 -0.883
 CID2   Fr= 1--     -11.278                  9.291                 -1.750
 Raman3 Fr= 1--       0.846                  0.860                  1.010
 ROA3   Fr= 1--     -34.570                  9.104                  8.209
 CID3   Fr= 1--     -40.859                 10.582                  8.130
 RC180  Fr= 1--       0.469                  0.484                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.7768                 1.6844                 0.8273
  Dep-P Fr= 1--      0.4622                 0.5343                 0.6755
  Dep-U Fr= 1--      0.6322                 0.6965                 0.8063
 Alpha2 Fr= 1--      0.0162                 0.0070                 0.0011
 Beta2  Fr= 1--      0.2926                 0.1955                 0.1112
 AlphaG Fr= 1--      0.0145                 0.0046                 0.0057
 Gamma2 Fr= 1--      1.1941                -0.3346                -0.5218
 Delta2 Fr= 1--      0.4489                -0.0595                -0.2970
 Raman1 Fr= 1--      11.107                  6.738                  3.309
 ROA1   Fr= 1--     128.997                -34.031                -59.597
 CID1   Fr= 1--      11.614                 -5.051                -18.010
 Raman2 Fr= 1--       3.511                  2.346                  1.334
 ROA2   Fr= 1--      25.067                 -7.555                -10.148
 CID2   Fr= 1--       7.139                 -3.220                 -7.606
 Raman3 Fr= 1--       7.022                  4.693                  2.668
 ROA3   Fr= 1--     128.997                -34.031                -59.597
 CID3   Fr= 1--      18.370                 -7.252                -22.336
 RC180  Fr= 1--       0.264                  0.393                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      1.0393                 1.3748                 7.1517
  Dep-P Fr= 1--      0.4585                 0.4768                 0.3646
  Dep-U Fr= 1--      0.6288                 0.6457                 0.5343
 Alpha2 Fr= 1--      0.0062                 0.0075                 0.0599
 Beta2  Fr= 1--      0.1089                 0.1480                 0.6369
 AlphaG Fr= 1--     -0.0201                -0.0066                -0.0422
 Gamma2 Fr= 1--     -0.2450                -0.6702                 0.6985
 Delta2 Fr= 1--      0.0522                -0.2676                 0.5003
 Raman1 Fr= 1--       4.157                  5.499                 28.607
 ROA1   Fr= 1--     -21.852                -72.897                 83.069
 CID1   Fr= 1--      -5.256                -13.256                  2.904
 Raman2 Fr= 1--       1.307                  1.775                  7.643
 ROA2   Fr= 1--      -6.298                -13.943                 12.763
 CID2   Fr= 1--      -4.819                 -7.853                  1.670
 Raman3 Fr= 1--       2.614                  3.551                 15.286
 ROA3   Fr= 1--     -21.852                -72.897                 83.069
 CID3   Fr= 1--      -8.360                -20.529                  5.434
 RC180  Fr= 1--       0.258                  0.291                  0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.5128                 1.5947                26.2274
  Dep-P Fr= 1--      0.3832                 0.6974                 0.0083
  Dep-U Fr= 1--      0.5541                 0.8217                 0.0165
 Alpha2 Fr= 1--      0.0119                 0.0015                 0.5716
 Beta2  Fr= 1--      0.1397                 0.2184                 0.0720
 AlphaG Fr= 1--     -0.0363                -0.0165                 0.2720
 Gamma2 Fr= 1--      0.6635                -1.3842                -0.4729
 Delta2 Fr= 1--      0.4218                -0.7044                -0.1872
 Raman1 Fr= 1--       6.051                  6.379                104.910
 ROA1   Fr= 1--      77.197               -155.419                -51.386
 CID1   Fr= 1--      12.758                -24.366                 -0.490
 Raman2 Fr= 1--       1.677                  2.621                  0.863
 ROA2   Fr= 1--      12.550                -27.584                 -9.851
 CID2   Fr= 1--       7.486                -10.525                -11.409
 Raman3 Fr= 1--       3.353                  5.242                  1.727
 ROA3   Fr= 1--      77.197               -155.419                -51.386
 CID3   Fr= 1--      23.023                -29.651                -29.755
 RC180  Fr= 1--       0.108                  0.643                 -0.967
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      4.3175                 6.2879                 1.7864
  Dep-P Fr= 1--      0.2649                 0.1062                 0.7223
  Dep-U Fr= 1--      0.4188                 0.1921                 0.8388
 Alpha2 Fr= 1--      0.0491                 0.1084                 0.0009
 Beta2  Fr= 1--      0.3014                 0.2013                 0.2497
 AlphaG Fr= 1--     -0.4433                 0.5107                -0.0524
 Gamma2 Fr= 1--     -0.4327                 0.5906                -0.3260
 Delta2 Fr= 1--      0.5252                 0.7962                 1.5443
 Raman1 Fr= 1--      17.270                 25.152                  7.145
 ROA1   Fr= 1--     -24.732                 82.174                 18.119
 CID1   Fr= 1--      -1.432                  3.267                  2.536
 Raman2 Fr= 1--       3.616                  2.415                  2.997
 ROA2   Fr= 1--     -14.587                  7.804                -20.180
 CID2   Fr= 1--      -4.033                  3.231                 -6.734
 Raman3 Fr= 1--       7.233                  4.831                  5.993
 ROA3   Fr= 1--     -24.732                 82.174                 18.119
 CID3   Fr= 1--      -3.419                 17.011                  3.023
 RC180  Fr= 1--      -0.162                 -0.616                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      2.9821                12.4626                 3.7985
  Dep-P Fr= 1--      0.3733                 0.4907                 0.3080
  Dep-U Fr= 1--      0.5437                 0.6583                 0.4709
 Alpha2 Fr= 1--      0.0242                 0.0642                 0.0380
 Beta2  Fr= 1--      0.2702                 1.3674                 0.2981
 AlphaG Fr= 1--     -0.0048                -0.4305                 0.0138
 Gamma2 Fr= 1--     -0.3610                -3.4303                 1.9607
 Delta2 Fr= 1--     -0.2286                -1.2301                 0.5630
 Raman1 Fr= 1--      11.929                 49.851                 15.194
 ROA1   Fr= 1--     -41.974               -368.674                206.238
 CID1   Fr= 1--      -3.519                 -7.396                 13.574
 Raman2 Fr= 1--       3.242                 16.409                  3.577
 ROA2   Fr= 1--      -6.835                -72.487                 42.552
 CID2   Fr= 1--      -2.108                 -4.418                 11.895
 Raman3 Fr= 1--       6.485                 32.818                  7.155
 ROA3   Fr= 1--     -41.974               -368.674                206.238
 CID3   Fr= 1--      -6.473                -11.234                 28.825
 RC180  Fr= 1--       0.087                  0.317                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--     10.2625                 1.8822                 6.3693
  Dep-P Fr= 1--      0.6969                 0.5004                 0.5072
  Dep-U Fr= 1--      0.8214                 0.6671                 0.6730
 Alpha2 Fr= 1--      0.0095                 0.0093                 0.0304
 Beta2  Fr= 1--      1.4049                 0.2093                 0.7144
 AlphaG Fr= 1--     -0.0694                -0.1084                 0.0798
 Gamma2 Fr= 1--     -0.3815                 0.5234                 4.8178
 Delta2 Fr= 1--      0.3276                -0.4424                 2.2170
 Raman1 Fr= 1--      41.050                  7.529                 25.477
 ROA1   Fr= 1--     -26.143                 36.089                533.449
 CID1   Fr= 1--      -0.637                  4.794                 20.938
 Raman2 Fr= 1--      16.859                  2.511                  8.573
 ROA2   Fr= 1--     -11.777                 16.101                 97.891
 CID2   Fr= 1--      -0.699                  6.412                 11.418
 Raman3 Fr= 1--      33.718                  5.022                 17.146
 ROA3   Fr= 1--     -26.143                 36.089                533.449
 CID3   Fr= 1--      -0.775                  7.186                 31.112
 RC180  Fr= 1--       0.643                  0.334                  0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.8599                 3.5686                 1.0374
  Dep-P Fr= 1--      0.6361                 0.7345                 0.5033
  Dep-U Fr= 1--      0.7776                 0.8470                 0.6696
 Alpha2 Fr= 1--      0.0080                 0.0009                 0.0050
 Beta2  Fr= 1--      0.5002                 0.5037                 0.1158
 AlphaG Fr= 1--      0.0281                 0.0073                 0.0399
 Gamma2 Fr= 1--      0.4538                -2.5782                 0.1589
 Delta2 Fr= 1--     -0.2002                -2.1076                 0.0149
 Raman1 Fr= 1--      15.440                 14.274                  4.150
 ROA1   Fr= 1--      37.156               -314.951                 15.730
 CID1   Fr= 1--       2.407                -22.064                  3.791
 Raman2 Fr= 1--       6.003                  6.045                  1.389
 ROA2   Fr= 1--      12.493                -45.016                  3.694
 CID2   Fr= 1--       2.081                 -7.447                  2.659
 Raman3 Fr= 1--      12.006                 12.090                  2.779
 ROA3   Fr= 1--      37.156               -314.951                 15.730
 CID3   Fr= 1--       3.095                -26.051                  5.661
 RC180  Fr= 1--       0.555                  0.694                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.5027                 5.6808                 5.8126
  Dep-P Fr= 1--      0.1266                 0.1003                 0.4512
  Dep-U Fr= 1--      0.2247                 0.1823                 0.6219
 Alpha2 Fr= 1--      0.0246                 0.0994                 0.0355
 Beta2  Fr= 1--      0.0563                 0.1726                 0.6025
 AlphaG Fr= 1--      0.0086                 0.0711                -0.0998
 Gamma2 Fr= 1--      0.7406                -0.3531                -0.4728
 Delta2 Fr= 1--      0.4864                -0.5137                -0.8263
 Raman1 Fr= 1--       6.011                 22.723                 23.250
 ROA1   Fr= 1--      86.661                -50.339                -71.834
 CID1   Fr= 1--      14.417                 -2.215                 -3.090
 Raman2 Fr= 1--       0.675                  2.071                  7.229
 ROA2   Fr= 1--      13.884                 -4.365                 -4.737
 CID2   Fr= 1--      20.560                 -2.107                 -0.655
 Raman3 Fr= 1--       1.351                  4.143                 14.459
 ROA3   Fr= 1--      86.661                -50.339                -71.834
 CID3   Fr= 1--      64.166                -12.152                 -4.968
 RC180  Fr= 1--      -0.551                 -0.635                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.6922                 3.0600                 4.0258
  Dep-P Fr= 1--      0.7021                 0.3373                 0.5957
  Dep-U Fr= 1--      0.8250                 0.5045                 0.7466
 Alpha2 Fr= 1--      0.0022                 0.0280                 0.0115
 Beta2  Fr= 1--      0.3702                 0.2573                 0.5010
 AlphaG Fr= 1--      0.0277                 0.0329                -0.1973
 Gamma2 Fr= 1--     -2.3169                 0.6305                -3.6234
 Delta2 Fr= 1--     -0.9192                 0.3087                -0.9766
 Raman1 Fr= 1--      10.769                 12.240                 16.103
 ROA1   Fr= 1--    -251.836                 70.406               -379.098
 CID1   Fr= 1--     -23.386                  5.752                -23.542
 Raman2 Fr= 1--       4.442                  3.087                  6.012
 ROA2   Fr= 1--     -48.252                 12.662                -79.148
 CID2   Fr= 1--     -10.862                  4.101                -13.166
 Raman3 Fr= 1--       8.884                  6.175                 12.023
 ROA3   Fr= 1--    -251.836                 70.406               -379.098
 CID3   Fr= 1--     -28.346                 11.403                -31.530
 RC180  Fr= 1--       0.650                  0.009                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--     10.0563                12.8014                 2.9712
  Dep-P Fr= 1--      0.7364                 0.5448                 0.6844
  Dep-U Fr= 1--      0.8482                 0.7053                 0.8126
 Alpha2 Fr= 1--      0.0023                 0.0504                 0.0034
 Beta2  Fr= 1--      1.4216                 1.5048                 0.4024
 AlphaG Fr= 1--     -0.0112                -0.1201                -0.0153
 Gamma2 Fr= 1--      1.7139                -2.2828                -0.3754
 Delta2 Fr= 1--     -0.6762                 0.4690                 0.8157
 Raman1 Fr= 1--      40.225                 51.206                 11.885
 ROA1   Fr= 1--     142.901               -204.138                 -9.937
 CID1   Fr= 1--       3.553                 -3.987                 -0.836
 Raman2 Fr= 1--      17.059                 18.058                  4.829
 ROA2   Fr= 1--      46.544                -58.539                -15.535
 CID2   Fr= 1--       2.728                 -3.242                 -3.217
 Raman3 Fr= 1--      34.119                 36.115                  9.658
 ROA3   Fr= 1--     142.901               -204.138                 -9.937
 CID3   Fr= 1--       4.188                 -5.652                 -1.029
 RC180  Fr= 1--       0.696                  0.411                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--     10.6988                 5.9311                 5.3330
  Dep-P Fr= 1--      0.6153                 0.1672                 0.5169
  Dep-U Fr= 1--      0.7619                 0.2864                 0.6815
 Alpha2 Fr= 1--      0.0264                 0.0878                 0.0243
 Beta2  Fr= 1--      1.3585                 0.2832                 0.6058
 AlphaG Fr= 1--     -0.0718                -0.0417                -0.0811
 Gamma2 Fr= 1--     -1.3264                -2.2284                 0.8313
 Delta2 Fr= 1--     -0.5297                -0.8964                 0.5858
 Raman1 Fr= 1--      42.795                 23.724                 21.332
 ROA1   Fr= 1--    -144.288               -242.612                 98.550
 CID1   Fr= 1--      -3.372                -10.226                  4.620
 Raman2 Fr= 1--      16.302                  3.398                  7.269
 ROA2   Fr= 1--     -27.597                -46.311                 15.265
 CID2   Fr= 1--      -1.693                -13.630                  2.100
 Raman3 Fr= 1--      32.604                  6.796                 14.538
 ROA3   Fr= 1--    -144.288               -242.612                 98.550
 CID3   Fr= 1--      -4.425                -35.701                  6.779
 RC180  Fr= 1--       0.524                 -0.427                  0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      5.7149                 3.3971                 5.9222
  Dep-P Fr= 1--      0.5385                 0.5362                 0.3060
  Dep-U Fr= 1--      0.7000                 0.6981                 0.4686
 Alpha2 Fr= 1--      0.0233                 0.0140                 0.0597
 Beta2  Fr= 1--      0.6668                 0.3953                 0.4625
 AlphaG Fr= 1--     -0.0286                 0.0425                -0.0555
 Gamma2 Fr= 1--      5.1642                 1.0967                -3.5345
 Delta2 Fr= 1--      4.0628                 0.4686                -1.2782
 Raman1 Fr= 1--      22.859                 13.589                 23.689
 ROA1   Fr= 1--     625.772                120.280               -380.216
 CID1   Fr= 1--      27.375                  8.852                -16.050
 Raman2 Fr= 1--       8.001                  4.743                  5.550
 ROA2   Fr= 1--      91.439                 22.572                -74.603
 CID2   Fr= 1--      11.428                  4.759                -13.443
 Raman3 Fr= 1--      16.002                  9.487                 11.100
 ROA3   Fr= 1--     625.772                120.280               -380.216
 CID3   Fr= 1--      39.105                 12.679                -34.255
 RC180  Fr= 1--       0.400                  0.396                 -0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.5666                 4.4275                 2.4311
  Dep-P Fr= 1--      0.6110                 0.5383                 0.7332
  Dep-U Fr= 1--      0.7585                 0.6999                 0.8461
 Alpha2 Fr= 1--      0.0040                 0.0181                 0.0007
 Beta2  Fr= 1--      0.1981                 0.5165                 0.3428
 AlphaG Fr= 1--     -0.0064                -0.0265                -0.0010
 Gamma2 Fr= 1--      1.8307                -1.0861                -0.0172
 Delta2 Fr= 1--      1.3649                -1.1316                -0.3647
 Raman1 Fr= 1--       6.266                 17.710                  9.724
 ROA1   Fr= 1--     219.426               -140.474                -13.318
 CID1   Fr= 1--      35.016                 -7.932                 -1.370
 Raman2 Fr= 1--       2.377                  6.197                  4.114
 ROA2   Fr= 1--      33.018                -17.014                  2.505
 CID2   Fr= 1--      13.893                 -2.745                  0.609
 Raman3 Fr= 1--       4.753                 12.395                  8.227
 ROA3   Fr= 1--     219.426               -140.474                -13.318
 CID3   Fr= 1--      46.163                -11.333                 -1.619
 RC180  Fr= 1--       0.517                  0.400                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.1919                 0.3584                38.4716
  Dep-P Fr= 1--      0.4446                 0.0843                 0.3339
  Dep-U Fr= 1--      0.6155                 0.1554                 0.5007
 Alpha2 Fr= 1--      0.0012                 0.0065                 0.3556
 Beta2  Fr= 1--      0.0197                 0.0093                 3.2102
 AlphaG Fr= 1--     -0.0024                 0.0090                -0.1578
 Gamma2 Fr= 1--      0.1554                -0.1044                -0.7508
 Delta2 Fr= 1--      0.0357                 0.0024                 0.2067
 Raman1 Fr= 1--       0.768                  1.434                153.886
 ROA1   Fr= 1--      16.056                 -9.949                -65.459
 CID1   Fr= 1--      20.914                 -6.940                 -0.425
 Raman2 Fr= 1--       0.236                  0.111                 38.523
 ROA2   Fr= 1--       3.443                 -2.526                -19.673
 CID2   Fr= 1--      14.570                -22.677                 -0.511
 Raman3 Fr= 1--       0.473                  0.223                 77.045
 ROA3   Fr= 1--      16.056                 -9.949                -65.459
 CID3   Fr= 1--      33.975                -44.656                 -0.850
 RC180  Fr= 1--       0.231                 -0.689                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      7.3129                 7.1666                 1.7512
  Dep-P Fr= 1--      0.5620                 0.7468                 0.7434
  Dep-U Fr= 1--      0.7196                 0.8550                 0.8528
 Alpha2 Fr= 1--      0.0261                 0.0004                 0.0002
 Beta2  Fr= 1--      0.8771                 1.0213                 0.2489
 AlphaG Fr= 1--     -0.0077                 0.0047                 0.0020
 Gamma2 Fr= 1--     -1.0537                -0.1665                -0.1757
 Delta2 Fr= 1--      1.9627                -2.9601                 0.1094
 Raman1 Fr= 1--      29.251                 28.667                  7.005
 ROA1   Fr= 1--     -38.353               -110.705                -13.363
 CID1   Fr= 1--      -1.311                 -3.862                 -1.908
 Raman2 Fr= 1--      10.525                 12.255                  2.987
 ROA2   Fr= 1--     -40.991                 19.686                 -5.091
 CID2   Fr= 1--      -3.895                  1.606                 -1.704
 Raman3 Fr= 1--      21.050                 24.511                  5.974
 ROA3   Fr= 1--     -38.353               -110.705                -13.363
 CID3   Fr= 1--      -1.822                 -4.517                 -2.237
 RC180  Fr= 1--       0.439                  0.710                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      7.6657                 2.8761                 2.9141
  Dep-P Fr= 1--      0.7474                 0.7065                 0.6743
  Dep-U Fr= 1--      0.8554                 0.8280                 0.8055
 Alpha2 Fr= 1--      0.0003                 0.0022                 0.0039
 Beta2  Fr= 1--      1.0929                 0.3969                 0.3912
 AlphaG Fr= 1--     -0.0045                 0.0028                -0.0253
 Gamma2 Fr= 1--     -1.8334                 2.7901                 1.7306
 Delta2 Fr= 1--      0.4338                 0.5506                 0.4763
 Raman1 Fr= 1--      30.663                 11.504                 11.656
 ROA1   Fr= 1--    -162.128                285.472                181.383
 CID1   Fr= 1--      -5.287                 24.814                 15.561
 Raman2 Fr= 1--      13.115                  4.763                  4.695
 ROA2   Fr= 1--     -47.473                 62.558                 37.725
 CID2   Fr= 1--      -3.620                 13.134                  8.036
 Raman3 Fr= 1--      26.229                  9.526                  9.389
 ROA3   Fr= 1--    -162.128                285.472                181.383
 CID3   Fr= 1--      -6.181                 29.967                 19.318
 RC180  Fr= 1--       0.711                  0.656                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      4.7017               128.6284                14.1231
  Dep-P Fr= 1--      0.5590                 0.1831                 0.4763
  Dep-U Fr= 1--      0.7171                 0.3095                 0.6453
 Alpha2 Fr= 1--      0.0171                 1.8263                 0.0776
 Beta2  Fr= 1--      0.5619                 6.6347                 1.5189
 AlphaG Fr= 1--      0.0190                -0.2078                -0.0354
 Gamma2 Fr= 1--     -1.7938                -4.1538                 0.5697
 Delta2 Fr= 1--     -0.8784                 2.8627                 0.2079
 Raman1 Fr= 1--      18.807                514.514                 56.493
 ROA1   Fr= 1--    -200.315               -307.160                 61.347
 CID1   Fr= 1--     -10.651                 -0.597                  1.086
 Raman2 Fr= 1--       6.743                 79.617                 18.227
 ROA2   Fr= 1--     -36.024               -122.594                 12.010
 CID2   Fr= 1--      -5.342                 -1.540                  0.659
 Raman3 Fr= 1--      13.486                159.234                 36.453
 ROA3   Fr= 1--    -200.315               -307.160                 61.347
 CID3   Fr= 1--     -14.853                 -1.929                  1.683
 RC180  Fr= 1--       0.434                 -0.381                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     33.0490               280.3066               140.8593
  Dep-P Fr= 1--      0.1665                 0.0373                 0.2734
  Dep-U Fr= 1--      0.2855                 0.0719                 0.4294
 Alpha2 Fr= 1--      0.4898                 5.7066                 1.5621
 Beta2  Fr= 1--      1.5725                 3.3583                10.0805
 AlphaG Fr= 1--     -0.8698                -0.2553                -0.1442
 Gamma2 Fr= 1--      5.0319                -3.0286                 8.4419
 Delta2 Fr= 1--     12.7904                 2.8530                -7.0519
 Raman1 Fr= 1--     132.196               1121.226                563.437
 ROA1   Fr= 1--     892.355               -199.453                584.764
 CID1   Fr= 1--       6.750                 -0.178                  1.038
 Raman2 Fr= 1--      18.871                 40.300                120.966
 ROA2   Fr= 1--      18.442                -95.512                259.021
 CID2   Fr= 1--       0.977                 -2.370                  2.141
 Raman3 Fr= 1--      37.741                 80.600                241.932
 ROA3   Fr= 1--     892.355               -199.453                584.764
 CID3   Fr= 1--      23.644                 -2.475                  2.417
 RC180  Fr= 1--      -0.429                 -0.856                 -0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    213.8432                78.0280                62.6945
  Dep-P Fr= 1--      0.1740                 0.4328                 0.7273
  Dep-U Fr= 1--      0.2964                 0.6042                 0.8421
 Alpha2 Fr= 1--      3.1087                 0.5118                 0.0244
 Beta2  Fr= 1--     10.5646                 7.8570                 8.7993
 AlphaG Fr= 1--      0.3566                 0.1360                 0.0334
 Gamma2 Fr= 1--      5.7035                11.1227               -25.9574
 Delta2 Fr= 1--      3.7507                19.9658               -13.7842
 Raman1 Fr= 1--     855.373                312.112                250.778
 ROA1   Fr= 1--     667.556               1706.689              -2933.003
 CID1   Fr= 1--       0.780                  5.468                -11.696
 Raman2 Fr= 1--     126.775                 94.284                105.591
 ROA2   Fr= 1--     106.878                107.219               -512.704
 CID2   Fr= 1--       0.843                  1.137                 -4.856
 Raman3 Fr= 1--     253.549                188.567                211.183
 ROA3   Fr= 1--     667.556               1706.689              -2933.003
 CID3   Fr= 1--       2.633                  9.051                -13.888
 RC180  Fr= 1--      -0.407                  0.208                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     37.6134               271.9667               147.2019
  Dep-P Fr= 1--      0.1564                 0.0202                 0.7369
  Dep-U Fr= 1--      0.2704                 0.0396                 0.8485
 Alpha2 Fr= 1--      0.5721                 5.7644                 0.0328
 Beta2  Fr= 1--      1.6953                 1.7955                20.8178
 AlphaG Fr= 1--      0.4395                 0.5506                 0.2561
 Gamma2 Fr= 1--      6.7504                 2.0436                 0.7923
 Delta2 Fr= 1--      1.7725                 4.1591                -0.7810
 Raman1 Fr= 1--     150.454               1087.867                588.808
 ROA1   Fr= 1--     704.761                329.277                 51.066
 CID1   Fr= 1--       4.684                  0.303                  0.087
 Raman2 Fr= 1--      20.343                 21.546                249.814
 ROA2   Fr= 1--     147.831                 15.774                 25.263
 CID2   Fr= 1--       7.267                  0.732                  0.101
 Raman3 Fr= 1--      40.687                 43.091                499.628
 ROA3   Fr= 1--     704.761                329.277                 51.066
 CID3   Fr= 1--      17.322                  7.641                  0.102
 RC180  Fr= 1--      -0.459                 -0.921                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--    102.4001                29.4660                47.3269
  Dep-P Fr= 1--      0.7249                 0.7084                 0.5209
  Dep-U Fr= 1--      0.8405                 0.8293                 0.6850
 Alpha2 Fr= 1--      0.0441                 0.0213                 0.2112
 Beta2  Fr= 1--     14.3451                 4.0726                 5.4031
 AlphaG Fr= 1--      0.3149                 0.0205                 0.0273
 Gamma2 Fr= 1--    -16.8303                 5.1280                -6.9041
 Delta2 Fr= 1--    -25.8991                 6.4438                -0.8307
 Raman1 Fr= 1--     409.600                117.864                189.308
 ROA1   Fr= 1--   -2444.476                698.490               -689.379
 CID1   Fr= 1--      -5.968                  5.926                 -3.642
 Raman2 Fr= 1--     172.141                 48.872                 64.837
 ROA2   Fr= 1--    -196.734                 71.522               -159.054
 CID2   Fr= 1--      -1.143                  1.463                 -2.453
 Raman3 Fr= 1--     344.283                 97.743                129.673
 ROA3   Fr= 1--   -2444.476                698.490               -689.379
 CID3   Fr= 1--      -7.100                  7.146                 -5.316
 RC180  Fr= 1--       0.681                  0.659                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    134.9593               146.4807                97.1868
  Dep-P Fr= 1--      0.1001                 0.3985                 0.7488
  Dep-U Fr= 1--      0.1819                 0.5699                 0.8564
 Alpha2 Fr= 1--      2.3626                 1.0907                 0.0019
 Beta2  Fr= 1--      4.0920                13.9140                13.8713
 AlphaG Fr= 1--      0.0909                 0.1889                 0.0347
 Gamma2 Fr= 1--      7.6997               -10.0408                 3.0183
 Delta2 Fr= 1--      2.6442                -6.7844                 5.0274
 Raman1 Fr= 1--     539.837                585.923                388.747
 ROA1   Fr= 1--     823.784              -1181.022                450.630
 CID1   Fr= 1--       1.526                 -2.016                  1.159
 Raman2 Fr= 1--      49.104                166.968                166.456
 ROA2   Fr= 1--     163.639               -186.705                 32.219
 CID2   Fr= 1--       3.333                 -1.118                  0.194
 Raman3 Fr= 1--      98.207                333.936                332.912
 ROA3   Fr= 1--     823.784              -1181.022                450.630
 CID3   Fr= 1--       8.388                 -3.537                  1.354
 RC180  Fr= 1--      -0.636                  0.140                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.131844D+03 -0.814852D+01  0.290706D+00
      2  -0.814852D+01  0.122785D+03  0.114817D+01
      3   0.290706D+00  0.114817D+01  0.106779D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.422959D+01 -0.405630D+01  0.296681D+01
      2   0.845563D+01  0.239131D+01 -0.754934D+01
      3   0.108361D+02 -0.100623D+02 -0.692975D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.133566D+02 -0.318485D+02  0.447845D+01
      2   0.199665D+02 -0.877782D+01 -0.848965D+01
      3  -0.333230D+02  0.406263D+02  0.401121D+01
      4  -0.775785D+02  0.608267D+02  0.134764D+02
      5   0.564435D+01  0.198117D+02 -0.217943D+02
      6   0.978541D+01 -0.498036D+01 -0.836466D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.190455D+01 -0.215000D+01 -0.177036D+01 -0.980354D+00  0.130561D+01
      2  -0.215000D+01 -0.141561D+01  0.104660D+01  0.130561D+01 -0.395721D+01
      3  -0.177036D+01  0.104660D+01 -0.268478D+01  0.191070D+01  0.123985D+01
                 6             7             8             9            10 
      1   0.191070D+01 -0.359353D+01  0.198482D+01 -0.360314D+01 -0.535321D-01
      2   0.123985D+01  0.198482D+01  0.279265D+01 -0.944662D+00  0.234284D+01
      3   0.404462D-01 -0.360314D+01 -0.944662D+00 -0.620499D+00  0.164610D+01
                11            12            13            14            15 
      1   0.234284D+01  0.164610D+01  0.203958D+01 -0.336597D+01 -0.130574D+00
      2  -0.345983D+01 -0.434076D-01 -0.336597D+01 -0.690934D+01  0.525281D+00
      3  -0.434076D-01  0.192774D+01 -0.130574D+00  0.525281D+00  0.102315D+01
                16            17            18            19            20 
      1   0.244175D+01  0.171002D+00  0.189152D+01 -0.137848D+02  0.100123D+02
      2   0.171002D+00  0.153567D+01 -0.265227D+00  0.100123D+02 -0.852322D+01
      3   0.189152D+01 -0.265227D+00 -0.585514D+01  0.342497D+01 -0.367660D+00
                21            22            23            24            25 
      1   0.342497D+01  0.100692D+02 -0.852682D+01 -0.183516D+01  0.278628D+00
      2  -0.367660D+00 -0.852682D+01  0.110922D+02 -0.229787D+01  0.474399D+00
      3  -0.183838D+01 -0.183516D+01 -0.229787D+01  0.279075D+01 -0.838388D+00
                26            27            28            29            30 
      1   0.474399D+00 -0.838388D+00  0.758332D+01 -0.701102D+01 -0.596457D+01
      2  -0.177733D+01  0.903997D+00 -0.701102D+01  0.806272D+01  0.244932D+01
      3   0.903997D+00  0.716717D-02 -0.596457D+01  0.244932D+01  0.280734D+01
                31            32            33            34            35 
      1  -0.105237D+02  0.902791D+01  0.882069D+00 -0.684420D+01  0.139954D+01
      2   0.902791D+01 -0.929082D+01  0.411234D+01  0.139954D+01  0.520662D+01
      3   0.882069D+00  0.411234D+01 -0.282276D+01  0.362333D+01 -0.327753D+01
                36            37            38            39            40 
      1   0.362333D+01  0.127218D+02 -0.617908D+01 -0.408988D+01 -0.256852D+01
      2  -0.327753D+01 -0.617908D+01  0.386710D+01 -0.772982D+00  0.283266D+01
      3  -0.950593D+00 -0.408988D+01 -0.772982D+00  0.271962D+01 -0.978026D+00
                41            42            43            44            45 
      1   0.283266D+01 -0.978026D+00 -0.795270D+01  0.509823D+00  0.313413D+01
      2   0.110066D+01  0.585116D+01  0.509823D+00  0.499120D+01  0.131617D+01
      3   0.585116D+01  0.655441D+00  0.313413D+01  0.131617D+01 -0.136687D+01
                46            47            48            49            50 
      1  -0.489696D+01  0.353467D+01  0.638057D+01  0.471113D+01 -0.516610D+01
      2   0.353467D+01 -0.308023D+01  0.164375D+00 -0.516610D+01 -0.764596D+01
      3   0.638057D+01  0.164375D+00 -0.243650D+01 -0.137819D+00 -0.664876D+00
                51            52            53            54            55 
      1  -0.137819D+00  0.124576D+02 -0.223808D+01 -0.272274D+01  0.203812D+01
      2  -0.664876D+00 -0.223808D+01  0.128914D+01  0.263259D+01 -0.352124D+01
      3   0.192045D+01 -0.272274D+01  0.263259D+01 -0.110628D+01 -0.253300D+01
                56            57            58            59            60 
      1  -0.352124D+01 -0.253300D+01 -0.331756D+01  0.645110D+01  0.401598D-01
      2   0.584738D+01 -0.728081D-01  0.645110D+01  0.409336D+01 -0.244448D+01
      3  -0.728081D-01 -0.138953D+01  0.401598D-01 -0.244448D+01  0.205113D+01
                61            62            63            64            65 
      1  -0.257863D+01 -0.741081D+00 -0.148977D+01  0.950083D-01 -0.954866D+00
      2  -0.741081D+00 -0.321799D+01  0.224214D+00 -0.954866D+00 -0.391053D+01
      3  -0.148977D+01  0.224214D+00  0.498003D+01  0.426324D+01  0.274248D+01
                66            67            68            69            70 
      1   0.426324D+01  0.992520D+00 -0.435149D+01  0.328212D+01  0.367087D+01
      2   0.274248D+01 -0.435149D+01  0.405126D+01 -0.121383D+01  0.181624D+01
      3   0.176690D+01  0.328212D+01 -0.121383D+01 -0.281342D+01  0.142035D+01
                71            72            73            74            75 
      1   0.181624D+01  0.142035D+01  0.455302D+01  0.622095D+00  0.265302D+01
      2  -0.425757D+00 -0.236577D+01  0.622095D+00  0.128324D+01  0.492308D+00
      3  -0.236577D+01 -0.125828D+01  0.265302D+01  0.492308D+00  0.243136D+01
                76            77            78            79            80 
      1  -0.730988D+00  0.718813D+00 -0.559305D+00  0.396761D+01  0.221036D+00
      2   0.718813D+00 -0.466243D-01  0.553589D+00  0.221036D+00  0.581279D+00
      3  -0.559305D+00  0.553589D+00 -0.314971D+00  0.332105D+01  0.828329D+00
                81            82            83            84            85 
      1   0.332105D+01  0.895771D+00  0.146726D+01 -0.916583D-01  0.152369D+01
      2   0.828329D+00  0.146726D+01  0.189405D+01  0.218709D+00  0.218728D+01
      3   0.430637D+01 -0.916583D-01  0.218709D+00 -0.104189D+00  0.259758D+00
                86            87            88            89            90 
      1   0.218728D+01  0.259758D+00 -0.677578D+00 -0.227294D+00 -0.135301D-01
      2   0.121782D+02  0.876307D+00 -0.227294D+00 -0.139548D+01  0.120923D+01
      3   0.876307D+00  0.976182D+00 -0.135301D-01  0.120923D+01  0.494647D+00
                91            92            93            94            95 
      1  -0.782272D+00 -0.125663D+00  0.958789D+00 -0.406288D+00 -0.118190D-01
      2  -0.125663D+00  0.523426D-01 -0.283245D+00 -0.118190D-01  0.675574D+00
      3   0.958789D+00 -0.283245D+00 -0.126141D+01  0.103938D-01  0.969579D+00
                96            97            98            99           100 
      1   0.103938D-01  0.128401D+01 -0.273116D-01 -0.921209D+00  0.958366D+01
      2   0.969579D+00 -0.273116D-01  0.160380D+01  0.188633D+01 -0.255809D+01
      3  -0.137216D+00 -0.921209D+00  0.188633D+01  0.873624D+01  0.305248D+01
               101           102           103           104           105 
      1  -0.255809D+01  0.305248D+01 -0.744903D+00  0.155954D+01  0.469419D+00
      2   0.181139D+01 -0.865119D+00  0.155954D+01 -0.163117D+01 -0.247021D+00
      3  -0.865119D+00  0.146942D+01  0.469419D+00 -0.247021D+00  0.151552D-01
               106           107           108           109           110 
      1   0.538544D+01 -0.872768D+00  0.145374D+01  0.112284D+01 -0.121021D+01
      2  -0.872768D+00 -0.553294D-01 -0.309627D-02 -0.121021D+01 -0.819305D+00
      3   0.145374D+01 -0.309627D-02  0.109613D+01  0.170871D+00 -0.110096D+01
               111           112           113           114           115 
      1   0.170871D+00 -0.150437D+01  0.148710D+01  0.434892D+00  0.710228D-01
      2  -0.110096D+01  0.148710D+01 -0.845039D+01 -0.314765D+01 -0.100367D+00
      3  -0.567480D+00  0.434892D+00 -0.314765D+01 -0.182662D+01 -0.263822D+00
               116           117           118           119           120 
      1  -0.100367D+00 -0.263822D+00 -0.595909D+00 -0.931395D+00 -0.465508D+00
      2  -0.422091D+01 -0.162329D+01 -0.931395D+00 -0.912527D+00 -0.431709D+00
      3  -0.162329D+01 -0.132038D+01 -0.465508D+00 -0.431709D+00 -0.732265D+00
               121           122           123           124           125 
      1  -0.164323D+01 -0.547609D+00 -0.519127D+00  0.106617D+00 -0.491437D+00
      2  -0.547609D+00 -0.549392D+01 -0.343608D+01 -0.491437D+00 -0.267552D+01
      3  -0.519127D+00 -0.343608D+01 -0.293709D+01 -0.584721D+00 -0.278519D+01
               126           127           128           129           130 
      1  -0.584721D+00 -0.248887D+01 -0.156801D+01 -0.490171D+01 -0.198721D+01
      2  -0.278519D+01 -0.156801D+01  0.133089D+01  0.116857D+00  0.214651D+01
      3  -0.366981D+01 -0.490171D+01  0.116857D+00  0.227609D+01  0.589982D+00
               131           132           133           134           135 
      1   0.214651D+01  0.589982D+00 -0.469979D+01  0.482027D+00  0.227309D+01
      2   0.693580D+01 -0.905599D+00  0.482027D+00  0.195074D+00 -0.269138D+01
      3  -0.905599D+00 -0.301278D+01  0.227309D+01 -0.269138D+01 -0.266822D-01
               136           137           138           139           140 
      1   0.284673D+00 -0.248040D+01 -0.450368D+01 -0.383622D+01  0.361117D+01
      2  -0.248040D+01  0.135931D+01  0.437601D-01  0.361117D+01  0.690115D+01
      3  -0.450368D+01  0.437601D-01  0.204252D+01  0.219022D+00  0.103750D+01
               141           142           143           144           145 
      1   0.219022D+00 -0.655290D+01  0.988208D+00  0.331410D+01 -0.628134D+01
      2   0.103750D+01  0.988208D+00  0.330762D+00 -0.252994D+01  0.442095D+01
      3  -0.288120D+01  0.331410D+01 -0.252994D+01  0.289904D+01  0.100448D+01
               146           147           148           149           150 
      1   0.442095D+01  0.100448D+01  0.333399D+01 -0.390524D+01 -0.210484D+00
      2  -0.469287D+01 -0.577530D+00 -0.390524D+01  0.533168D+01  0.916663D+00
      3  -0.577530D+00 -0.791400D+00 -0.210484D+00  0.916663D+00  0.675395D+00
               151           152           153           154           155 
      1   0.108739D+01 -0.377861D+00 -0.950720D+00 -0.464143D+01  0.893847D+00
      2  -0.377861D+00  0.110935D+01  0.126298D+01  0.893847D+00 -0.101792D+01
      3  -0.950720D+00  0.126298D+01  0.370710D+00 -0.335735D+01  0.685979D+00
               156           157           158           159           160 
      1  -0.335735D+01 -0.270843D+00 -0.462675D+00  0.798277D-01 -0.291560D+01
      2   0.685979D+00 -0.462675D+00  0.104972D+00 -0.743917D+00  0.619495D+00
      3  -0.401452D+01  0.798277D-01 -0.743917D+00  0.437405D+00 -0.335806D+01
               161           162           163           164           165 
      1   0.619495D+00 -0.335806D+01  0.302813D+01  0.202384D+01 -0.256534D+01
      2  -0.995496D+00  0.122258D+01  0.202384D+01  0.278140D+01 -0.220136D+01
      3   0.122258D+01 -0.554079D+01 -0.256534D+01 -0.220136D+01  0.306247D+01
               166           167           168           169           170 
      1   0.109371D+01  0.198460D+01 -0.128488D+01 -0.119090D+01 -0.110067D+01
      2   0.198460D+01  0.294862D+01 -0.218070D+01 -0.110067D+01 -0.148044D+01
      3  -0.128488D+01 -0.218070D+01  0.248297D+01  0.133229D+01  0.221964D+01
               171           172           173           174           175 
      1   0.133229D+01  0.529039D+01  0.626087D+00  0.174080D+01  0.807190D+00
      2   0.221964D+01  0.626087D+00  0.915931D+00 -0.242465D+00  0.491397D+00
      3  -0.347116D+01  0.174080D+01 -0.242465D+00  0.273412D+01 -0.641619D-01
               176           177           178           179           180 
      1   0.491397D+00 -0.641619D-01  0.156312D+01  0.538526D-01  0.152044D+01
      2  -0.285973D+00  0.428501D+00  0.538526D-01  0.358882D+00  0.174718D+00
      3   0.428501D+00  0.557686D+00  0.152044D+01  0.174718D+00  0.211530D+01
               181           182           183           184           185 
      1  -0.437281D+00 -0.100201D+01  0.741910D+00 -0.136782D+01 -0.182666D+01
      2  -0.100201D+01 -0.988331D+00  0.185672D+00 -0.182666D+01 -0.882897D+01
      3   0.741910D+00  0.185672D+00 -0.601282D+00  0.453607D+00  0.227695D+01
               186           187           188           189           190 
      1   0.453607D+00  0.212961D+00 -0.115637D+00 -0.387297D+00 -0.382767D+01
      2   0.227695D+01 -0.115637D+00 -0.828534D-02 -0.753766D+00  0.519990D+00
      3  -0.181803D+01 -0.387297D+00 -0.753766D+00  0.390166D+00  0.359295D+01
               191           192           193           194           195 
      1   0.519990D+00  0.359295D+01  0.154171D+01 -0.949051D+00 -0.123035D+01
      2  -0.105771D+01 -0.203082D+00 -0.949051D+00  0.235677D+00  0.104430D+01
      3  -0.203082D+00 -0.422301D+01 -0.123035D+01  0.104430D+01  0.234517D+01
               196           197           198           199           200 
      1   0.256920D+01 -0.251920D+00 -0.322915D+01 -0.139269D+01  0.775721D+00
      2  -0.251920D+00  0.647415D+00  0.780878D+00  0.775721D+00 -0.357320D+00
      3  -0.322915D+01  0.780878D+00  0.572762D+01 -0.122871D+01  0.318948D+00
               201           202           203           204           205 
      1  -0.122871D+01  0.173533D+01 -0.697687D+00  0.596181D+00 -0.257838D+01
      2   0.318948D+00 -0.697687D+00  0.374839D+00 -0.117741D+01  0.629008D-01
      3  -0.164225D+01  0.596181D+00 -0.117741D+01  0.172629D+01 -0.274194D+01
               206           207           208           209           210 
      1   0.629008D-01 -0.274194D+01 -0.763834D+01  0.106799D+01  0.276473D+01
      2  -0.130588D+01  0.136002D+01  0.106799D+01 -0.901250D+00 -0.498367D+00
      3   0.136002D+01 -0.579687D+01  0.276473D+01 -0.498367D+00 -0.180947D+01
               211           212           213           214           215 
      1   0.330139D+01 -0.179304D+01 -0.859914D+00  0.599552D+01 -0.651192D+00
      2  -0.179304D+01  0.331821D+00  0.585793D+00 -0.651192D+00  0.909211D+00
      3  -0.859914D+00  0.585793D+00  0.105160D+01 -0.287927D+01  0.735222D+00
               216           217           218           219           220 
      1  -0.287927D+01 -0.133383D+01 -0.106680D+01  0.192073D+00 -0.323848D+01
      2   0.735222D+00 -0.106680D+01 -0.918173D+00 -0.715807D-01 -0.381909D+01
      3   0.228129D+01  0.192073D+00 -0.715807D-01 -0.201038D+00 -0.533454D+00
               221           222           223           224           225 
      1  -0.381909D+01 -0.533454D+00  0.399641D+00 -0.251210D+00 -0.909878D+00
      2  -0.842907D+01 -0.791837D+00 -0.251210D+00 -0.456556D+00 -0.811870D+00
      3  -0.791837D+00 -0.979356D+00 -0.909878D+00 -0.811870D+00 -0.494753D+00
               226           227           228           229           230 
      1   0.286274D+01  0.245123D+01 -0.111523D+01  0.197102D+01  0.161955D+01
      2   0.245123D+01  0.284907D+01 -0.732730D+00  0.161955D+01  0.461367D+01
      3  -0.111523D+01 -0.732730D+00  0.105992D+01 -0.884880D+00 -0.116654D+01
               231           232           233           234 
      1  -0.884880D+00 -0.190720D+01 -0.133652D+01  0.160959D+01
      2  -0.116654D+01 -0.133652D+01 -0.353607D+01  0.129481D+01
      3   0.794225D+00  0.160959D+01  0.129481D+01 -0.192661D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.195127D+01 -0.184457D+01  0.311830D+01  0.697649D+00 -0.385401D+01
      2  -0.688486D+01  0.744545D+01 -0.478710D+01  0.660386D+01  0.517558D+01
      3   0.887728D+01 -0.889867D+01 -0.732193D+01 -0.296418D+01  0.594509D+01
                 6             7             8             9            10 
      1  -0.938844D+00  0.386850D+01  0.992084D+01  0.282855D+01 -0.193807D+01
      2  -0.253660D+00 -0.102685D+02 -0.616979D+01 -0.181986D+00  0.205385D+01
      3  -0.168671D+01 -0.104014D+02 -0.292333D+01 -0.304068D+01 -0.907452D+00
                11            12            13            14            15 
      1  -0.323156D+01 -0.441716D+01 -0.316387D+01 -0.113749D+02 -0.428125D+01
      2  -0.233682D+01  0.138579D+00 -0.330426D+01  0.236952D+01  0.767657D+00
      3   0.824963D+01  0.488429D+01  0.120896D+02 -0.538380D+01 -0.240050D+00
                16            17            18            19            20 
      1  -0.525003D+01  0.562717D+01  0.156837D+02 -0.236884D+01  0.242845D+01
      2  -0.491556D+01  0.560530D+00 -0.561298D+01  0.166649D+01  0.699689D+01
      3   0.677168D+01  0.417522D+00  0.329658D+01  0.426140D+01 -0.186055D+01
                21            22            23            24            25 
      1  -0.641750D+01 -0.123651D+01 -0.926168D+01  0.724019D+01 -0.893743D+01
      2  -0.534188D+01  0.313934D+01 -0.787223D+01  0.812551D+01 -0.146377D+02
      3  -0.475122D+01  0.116998D+02 -0.176245D+02  0.807117D+01  0.995659D+00
                26            27            28            29            30 
      1   0.143628D+02  0.196689D+01 -0.884146D+01 -0.513812D+00  0.562333D+01
      2   0.775817D+01 -0.217361D+01 -0.801923D+01  0.392787D+01  0.733050D+01
      3   0.317473D+01 -0.123552D+00  0.855753D+01 -0.143068D+02  0.417784D+01
                31            32            33            34            35 
      1  -0.356887D+01  0.114803D+02 -0.884111D+01  0.170210D+01 -0.239367D+00
      2  -0.277786D+01  0.159253D+02 -0.853726D+01 -0.146511D+01 -0.435249D+01
      3  -0.480656D+00  0.492367D+01 -0.124922D+02  0.923789D+01 -0.174857D+02
                36            37            38            39            40 
      1   0.314978D+01 -0.870356D+00 -0.208008D+01  0.301319D+01 -0.482844D+01
      2  -0.224754D+01  0.123113D+02 -0.810091D+01 -0.261070D+01 -0.382399D+01
      3   0.216975D+01 -0.247606D+01  0.322813D+00  0.156436D+01  0.890789D+01
                41            42            43            44            45 
      1   0.815090D+01 -0.953920D+01  0.681651D+01 -0.480045D+01 -0.253688D+01
      2   0.364626D+01 -0.199169D+01 -0.171950D+02  0.472308D+01  0.406638D+01
      3  -0.470457D+01 -0.178735D+01  0.272636D+01  0.733468D+00 -0.226999D+01
                46            47            48            49            50 
      1   0.406296D+01 -0.403245D+00 -0.165388D+01 -0.181996D+01 -0.423243D+01
      2  -0.151195D+02  0.166032D+01  0.942376D+01  0.364905D+01 -0.105711D+01
      3   0.458635D+01 -0.110129D+02 -0.215499D+01 -0.151874D+01 -0.145890D+02
                51            52            53            54            55 
      1  -0.120498D+01 -0.398111D+01  0.810250D+01  0.852638D+00  0.377492D+01
      2  -0.372130D+01  0.482731D+01 -0.830677D+01  0.413807D+01  0.265481D+01
      3  -0.163656D+01 -0.577786D+01  0.115335D+01  0.799170D+01 -0.337966D+01
                56            57            58            59            60 
      1   0.168002D+01  0.542579D+01  0.236258D+01  0.453895D+01 -0.495168D+01
      2   0.231841D+01  0.395765D+01  0.151667D+01  0.236056D+01 -0.162491D+01
      3  -0.434233D+01 -0.415028D+01  0.359498D+01  0.140364D+02 -0.227241D+01
                61            62            63            64            65 
      1   0.318209D+01  0.229055D+01 -0.119153D+02 -0.192316D+01  0.368105D+01
      2  -0.121402D+01 -0.224168D+01 -0.572774D+01 -0.179077D+01 -0.557288D+01
      3  -0.559087D+01 -0.434704D+01 -0.346426D+01  0.123285D+01 -0.726899D+01
                66            67            68            69            70 
      1  -0.105694D+02  0.707374D+01 -0.899030D+01  0.451977D+01 -0.752984D+01
      2   0.119668D+02 -0.272251D+01 -0.732049D+01  0.926637D+01  0.418166D+01
      3   0.799962D+01 -0.188524D+01 -0.808630D+00  0.325202D+01  0.530855D+01
                71            72            73            74            75 
      1   0.762505D+01  0.887037D+01 -0.304817D+01  0.490644D+00 -0.299514D+01
      2   0.708615D+01  0.704125D+01  0.269582D+01  0.157669D+01  0.621865D+01
      3   0.143179D+01  0.179396D+01  0.391199D+01 -0.392204D+01  0.225774D+01
                76            77            78            79            80 
      1   0.250264D+00  0.415720D-01 -0.150657D+00 -0.323707D+01  0.111051D+01
      2  -0.611039D+00  0.513374D+00 -0.886463D+00  0.314939D+01  0.219429D+01
      3  -0.270301D+00  0.222017D+01 -0.108591D+01  0.476401D+01 -0.239699D+01
                81            82            83            84            85 
      1  -0.454001D+01  0.170700D+01  0.189974D+01  0.859469D-01  0.129429D+01
      2   0.911924D+01 -0.100106D+01 -0.108981D+01  0.151011D+01 -0.177127D+01
      3   0.251012D+01  0.207406D+01  0.216849D-01 -0.646724D+00  0.579556D+01
                86            87            88            89            90 
      1   0.971426D+01 -0.481833D+01  0.149944D+00 -0.232827D+01  0.150888D+00
      2  -0.144293D+01  0.860786D+00 -0.670035D-01  0.498327D+00  0.175857D+00
      3  -0.279251D+01  0.369674D+00 -0.196704D+01  0.642551D+00 -0.601976D+00
                91            92            93            94            95 
      1  -0.245977D+01 -0.467109D+00  0.289986D+01 -0.677705D+00 -0.151829D+01
      2   0.140329D+01  0.500995D+00 -0.702659D+00  0.122636D+01  0.654700D+00
      3  -0.224994D+01 -0.223421D+01  0.170505D+01 -0.606288D+00  0.107668D+01
                96            97            98            99           100 
      1   0.138910D+01  0.251257D+01  0.163382D+01 -0.183795D+02  0.790660D+01
      2  -0.519731D+00 -0.552397D+01  0.817081D+00  0.582459D+01  0.109911D+02
      3  -0.594375D+00  0.375373D+01 -0.742212D+00 -0.223403D+01 -0.111361D+02
               101           102           103           104           105 
      1  -0.111478D+01  0.347232D+01  0.298299D+00  0.357419D+00 -0.142219D+00
      2  -0.497118D+01  0.843248D+01  0.125272D+01 -0.130475D+01  0.412532D+00
      3  -0.308767D+01 -0.381433D+01 -0.119934D+01  0.105843D+01 -0.477622D-01
               106           107           108           109           110 
      1   0.342786D+01  0.717827D+00  0.158398D+01  0.201283D+01 -0.193441D+01
      2   0.254392D+01  0.213992D+01  0.517308D+01 -0.180913D+00 -0.283983D+01
      3  -0.908947D+01  0.112556D+01 -0.196739D+01  0.253524D+01  0.349637D+01
               111           112           113           114           115 
      1  -0.180932D+01  0.151945D+01 -0.281755D+01 -0.557339D+01 -0.209956D+01
      2  -0.847793D+00 -0.135493D+01 -0.744727D+01 -0.387561D+01 -0.882533D+00
      3   0.258534D+01  0.187229D+01  0.198030D+02  0.804283D+01  0.112861D+01
               116           117           118           119           120 
      1   0.121363D+01 -0.339782D+01  0.714414D+00  0.669572D+00 -0.104154D+00
      2  -0.502481D+01 -0.244717D+01 -0.541946D+00 -0.518307D+00  0.958721D+00
      3   0.124238D+02  0.424272D+01  0.229832D-01 -0.974760D+00 -0.198626D+00
               121           122           123           124           125 
      1  -0.372225D+00  0.592764D+01 -0.118788D+01 -0.253243D-01  0.353406D+01
      2  -0.293181D+01 -0.229853D+00  0.300180D+00 -0.254820D+01 -0.507043D+00
      3   0.504463D+01  0.155774D-01  0.191251D+00  0.131763D+01  0.154504D+00
               126           127           128           129           130 
      1  -0.850887D+00 -0.932451D+01  0.218418D+01  0.280373D+01  0.606882D+01
      2  -0.403832D+00  0.141442D+02  0.119979D+01  0.101610D+02  0.239216D+01
      3   0.230027D+00  0.246580D+01  0.147593D+01  0.702254D+01  0.602292D+01
               131           132           133           134           135 
      1   0.151882D+02 -0.941482D+01  0.330382D+01 -0.527224D+00 -0.659332D+01
      2  -0.211986D+01  0.271636D+01  0.534604D+01  0.337806D+01 -0.433694D+01
      3   0.752474D+01 -0.122097D+01  0.686933D+01  0.212641D+00 -0.613203D+01
               136           137           138           139           140 
      1  -0.241252D+01 -0.103898D+00  0.270548D+01 -0.132549D+01 -0.151017D+01
      2   0.126853D+02 -0.191984D+01 -0.821988D+01 -0.303306D+01 -0.198490D+01
      3  -0.864098D+01  0.568123D+01  0.356334D+01  0.160509D+02  0.207455D+02
               141           142           143           144           145 
      1  -0.532042D+01  0.433786D+01 -0.899845D+00  0.422748D+01 -0.170943D+01
      2   0.940722D+01 -0.199126D+02  0.911094D+01 -0.113094D+02 -0.432702D-01
      3   0.370467D+01  0.401836D+01  0.290413D+01 -0.119843D+02 -0.743450D+01
               146           147           148           149           150 
      1   0.281665D+00  0.312332D+01  0.444482D+00 -0.149194D+01 -0.415065D+01
      2   0.617948D+00  0.345201D+01 -0.560640D+00 -0.570707D+00 -0.233177D+01
      3  -0.103415D+01  0.946657D+00  0.489570D+01  0.167924D+00  0.227955D+00
               151           152           153           154           155 
      1   0.178333D+01 -0.726745D+00 -0.595998D+00  0.307442D+01  0.301512D+01
      2  -0.295627D+00 -0.124827D+01 -0.522624D+00 -0.101645D+02  0.351954D+00
      3   0.170244D+01  0.112402D+01 -0.173385D+00 -0.603403D+01 -0.190396D+01
               156           157           158           159           160 
      1   0.425964D+01  0.104184D+01  0.135852D+01 -0.592959D+00  0.335527D+01
      2  -0.266227D+01 -0.562386D+00 -0.690783D+00 -0.738206D+00 -0.667941D+01
      3  -0.339385D+01  0.974923D+00 -0.525952D-01 -0.391010D+00 -0.333978D+01
               161           162           163           164           165 
      1   0.246943D+01  0.359181D+01 -0.170910D+01 -0.481898D+01 -0.399959D+00
      2  -0.126369D+00 -0.243189D+01  0.975392D+01  0.502655D+01 -0.408825D+01
      3  -0.117846D+01 -0.323249D+01  0.594371D+01  0.171605D+01 -0.353549D+01
               166           167           168           169           170 
      1  -0.227414D+01 -0.387457D+01 -0.142361D+01  0.383266D+00  0.238111D+01
      2   0.445998D+01  0.505880D+01 -0.320609D+01 -0.465386D+01 -0.325840D+01
      3   0.467357D+01  0.208492D+01 -0.241067D+01 -0.279413D+01 -0.489168D+00
               171           172           173           174           175 
      1   0.911397D-01  0.424982D+01  0.352506D+01  0.235069D+01  0.234306D+01
      2   0.294080D+01 -0.185294D+02 -0.179984D+01 -0.350142D+01 -0.211443D+01
      3   0.233576D+01 -0.735658D+01 -0.226354D+01 -0.256074D+01  0.573429D+00
               176           177           178           179           180 
      1   0.101470D+01  0.318973D+00  0.227302D+01  0.216281D+01  0.239313D+01
      2  -0.172759D+01 -0.673505D+00 -0.653993D+01 -0.759918D+00 -0.414304D+01
      3  -0.106478D+01 -0.123012D-01 -0.246408D+01 -0.860931D+00 -0.158525D+01
               181           182           183           184           185 
      1  -0.113546D+01 -0.183797D+01 -0.593836D+00 -0.323537D+01 -0.164499D+02
      2  -0.824846D+00  0.100225D+01  0.598124D+00  0.279194D+01 -0.391408D+00
      3  -0.130045D+01 -0.114976D+01  0.119005D+00  0.307369D+01 -0.926909D+01
               186           187           188           189           190 
      1  -0.125351D+01 -0.469621D+00  0.549765D+00 -0.117414D+01  0.537532D+01
      2   0.200722D+01 -0.956903D+00  0.248513D+00  0.390190D+00  0.408880D+01
      3   0.248801D+01 -0.188247D+00 -0.340118D+00 -0.204374D+00  0.382976D+01
               191           192           193           194           195 
      1  -0.395072D+01 -0.516836D+01 -0.307079D+01  0.223664D+01  0.345685D+01
      2  -0.111184D+01  0.631920D+00 -0.236618D+01  0.210282D-01 -0.125475D+01
      3  -0.358331D+01 -0.363575D+01 -0.160379D+01  0.138467D+01  0.221167D+01
               196           197           198           199           200 
      1  -0.427225D+01  0.458074D+01  0.751157D+01 -0.162797D+01  0.784735D+00
      2  -0.500687D+01 -0.308591D-02 -0.952194D+00  0.305259D+01 -0.100517D+00
      3  -0.297705D+01  0.226019D+01  0.392355D+01  0.294429D+01 -0.194316D+01
               201           202           203           204           205 
      1  -0.994348D+00  0.455332D+00 -0.172208D+01  0.146246D+01 -0.135291D+01
      2   0.494590D+01  0.629662D+00  0.359471D+01 -0.655058D+01  0.308174D+01
      3   0.160165D+01 -0.118693D+01  0.223008D+01 -0.416286D+01  0.113870D+01
               206           207           208           209           210 
      1   0.465763D+01 -0.532467D+01  0.186330D+01 -0.920931D+00 -0.904161D+00
      2  -0.554108D+01  0.181474D+02 -0.999146D+01  0.179118D+01  0.982104D+01
      3  -0.574301D+01  0.661046D+01  0.850086D+01 -0.645201D+01 -0.316752D+01
               211           212           213           214           215 
      1  -0.362082D+00  0.861574D+00 -0.301517D+00 -0.186474D+01  0.169655D+01
      2   0.336661D+01 -0.232487D+01 -0.446254D+01  0.849680D+01 -0.287728D+01
      3  -0.505738D+01  0.234852D+01  0.213641D+01 -0.464931D+01  0.458624D+01
               216           217           218           219           220 
      1   0.939395D+00  0.546787D+00  0.377619D+00 -0.491257D+00  0.365249D+00
      2  -0.897368D+01 -0.684355D+00 -0.292378D-01  0.191577D+01  0.451288D+00
      3   0.422433D+01 -0.279055D+01 -0.371554D+01 -0.543535D+00 -0.511907D+01
               221           222           223           224           225 
      1   0.268105D+01 -0.384567D+01 -0.495186D+00  0.464671D+00 -0.409090D+00
      2   0.118678D+01  0.377041D+01  0.173484D+01  0.149215D+01  0.121907D+01
      3  -0.243003D+02 -0.189268D+01 -0.106305D+01 -0.166984D+01 -0.150483D+01
               226           227           228           229           230 
      1   0.212919D+01  0.220420D+01 -0.236315D+01  0.157281D+01  0.297220D+01
      2  -0.357770D+01 -0.345134D+01  0.468935D+01 -0.354528D+01 -0.402184D+01
      3  -0.196031D+01 -0.240019D+01  0.867332D+00  0.255541D+01 -0.905086D+01
               231           232           233           234 
      1  -0.384508D+01 -0.165857D+01 -0.418882D+01  0.245656D+01
      2   0.299380D+01  0.346769D+01  0.448502D+01 -0.691443D+01
      3   0.138138D+01  0.569386D+00  0.583228D+01 -0.810387D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.796578D+01 -0.103647D+02 -0.691848D+01 -0.275430D+01 -0.209065D+00
      2   0.713302D+01  0.629252D+01  0.946441D+01  0.679227D+00  0.112906D+01
      3   0.832759D+00  0.407222D+01 -0.254593D+01  0.207508D+01 -0.919995D+00
      4  -0.814452D+01 -0.183896D+02  0.264433D+01 -0.462859D+01 -0.240800D+02
      5  -0.101373D+02  0.412507D+00 -0.173978D+02  0.678644D+01  0.476818D+01
      6  -0.167910D+01  0.824493D+01 -0.228297D+01  0.484189D+01  0.406984D+01
                 6             7             8             9            10 
      1   0.829208D+01 -0.873357D+01  0.809886D+01 -0.137997D+02 -0.576937D+01
      2  -0.242547D+01  0.127158D+02  0.523949D-01  0.116313D+02  0.514946D+01
      3  -0.586661D+01 -0.398227D+01 -0.815125D+01  0.216845D+01  0.619910D+00
      4   0.768247D+01  0.797900D+01  0.188590D+02 -0.113866D+02 -0.124150D+01
      5   0.144488D+01 -0.218625D+02 -0.511288D+01 -0.879052D+01  0.227966D+01
      6  -0.281817D+01 -0.604084D+01 -0.715369D+01 -0.523690D+00  0.763918D+01
                11            12            13            14            15 
      1   0.934745D+01 -0.153253D+01  0.136022D+02  0.226954D+02 -0.259177D+01
      2  -0.136039D+02 -0.238400D+00 -0.162518D+02 -0.457462D+02  0.496529D+00
      3   0.425642D+01  0.177093D+01  0.264961D+01  0.230508D+02  0.209524D+01
      4  -0.340953D+01  0.211156D+01  0.257131D+01 -0.141565D+02 -0.589126D+00
      5   0.136475D+01  0.851620D+00  0.165000D+01 -0.367164D+01  0.963566D+00
      6  -0.183448D+01  0.714994D+01 -0.363482D+01 -0.327661D+01  0.448544D+01
                16            17            18            19            20 
      1  -0.215828D+01 -0.463875D+01  0.155412D+02 -0.178467D+02  0.939991D+01
      2  -0.341439D+01  0.116939D+02  0.800407D+01 -0.750198D+01  0.123836D+02
      3   0.557267D+01 -0.705510D+01 -0.235452D+02  0.253487D+02 -0.217835D+02
      4   0.196134D+01 -0.228868D+01  0.388392D+01  0.577961D+02 -0.407282D+02
      5   0.438363D+01  0.796036D+00  0.321660D+01  0.249269D+02 -0.732833D+01
      6   0.604854D+01  0.139469D+01 -0.185662D+02 -0.116226D+02  0.232648D+01
                21            22            23            24            25 
      1   0.135623D+02  0.240438D+02 -0.187565D+02 -0.116703D+02 -0.173074D+01
      2  -0.992257D+01 -0.252068D+01 -0.763061D+01  0.164009D+02 -0.610059D+00
      3  -0.363977D+01 -0.215231D+02  0.263871D+02 -0.473063D+01  0.234080D+01
      4  -0.791123D+01 -0.499882D+02  0.639167D+02 -0.319898D+00 -0.356976D+01
      5  -0.100125D+02 -0.194116D+02  0.384153D+01  0.166387D+02  0.107448D+02
      6   0.107294D+02  0.829625D+01  0.335336D+01 -0.624987D+01  0.383945D+00
                26            27            28            29            30 
      1  -0.332295D+01 -0.391014D+01  0.788399D+01 -0.111296D+02 -0.245838D+02
      2   0.702412D+01 -0.853574D+01  0.480625D+01 -0.869264D+01  0.164291D+02
      3  -0.370117D+01  0.124459D+02 -0.126902D+02  0.198222D+02  0.815472D+01
      4  -0.327418D+01  0.848518D+01 -0.380815D+02  0.467740D+02  0.212613D+02
      5   0.120776D+01 -0.484294D+01 -0.451632D+02  0.179919D+02  0.188260D+02
      6   0.723564D+01 -0.108294D+01  0.223847D+02 -0.128870D+02 -0.102429D+02
                31            32            33            34            35 
      1  -0.159018D+02  0.208195D+02  0.182191D+02 -0.381439D+02  0.259646D+02
      2  -0.994200D+01  0.706988D+01 -0.237844D+02  0.250746D+02 -0.308642D+02
      3   0.258438D+02 -0.278894D+02  0.556529D+01  0.130693D+02  0.489953D+01
      4   0.561033D+02 -0.544220D+02  0.922138D+01  0.170943D+02  0.124212D+02
      5   0.957335D+01  0.102396D+02 -0.136384D+02  0.257303D+02 -0.196195D+02
      6  -0.552221D+01 -0.213419D+02  0.830500D+01 -0.155618D+02  0.149873D+02
                36            37            38            39            40 
      1   0.330941D+01  0.523916D+01 -0.669896D+01  0.263176D+01 -0.119165D+02
      2  -0.470706D+01  0.598144D+01  0.451337D+00 -0.531914D+01 -0.600926D+00
      3   0.139765D+01 -0.112206D+02  0.624763D+01  0.268738D+01  0.125174D+02
      4  -0.185284D+02 -0.331769D+02  0.107181D+02  0.455218D+01  0.646053D+01
      5  -0.114850D+02 -0.461881D+01  0.263711D-01 -0.847694D+00  0.415923D+01
      6  -0.158769D+01  0.530220D+01 -0.861285D+01 -0.367186D+01 -0.904142D+01
                41            42            43            44            45 
      1   0.269364D+02  0.724504D+01  0.175725D+02  0.501730D+01  0.401744D+01
      2  -0.658267D+01 -0.358331D+01 -0.112490D+02 -0.743432D+01 -0.852569D-01
      3  -0.203537D+02 -0.366173D+01 -0.632355D+01  0.241702D+01 -0.393218D+01
      4  -0.102567D+02 -0.204767D+01  0.140785D+02 -0.596661D+01 -0.655899D+01
      5  -0.640782D+01  0.304014D+01 -0.776624D+01  0.379193D+01 -0.196188D+01
      6  -0.249780D+01 -0.212918D+02 -0.141070D+01 -0.172964D+02 -0.142317D+01
                46            47            48            49            50 
      1  -0.165830D+02 -0.650286D+01 -0.145295D+02 -0.267924D+01 -0.671593D-01
      2   0.149093D+01  0.371966D+01  0.126762D+02  0.732840D+01  0.827117D+00
      3   0.150921D+02  0.278320D+01  0.185335D+01 -0.464916D+01 -0.759958D+00
      4   0.261212D+01  0.380398D+01 -0.919893D+01  0.426489D+00  0.212202D+02
      5  -0.158020D+02 -0.139035D+01  0.890865D+01 -0.708311D+00 -0.157856D+01
      6  -0.621532D+01  0.338642D+00  0.370879D+01  0.101372D+01 -0.829395D+01
                51            52            53            54            55 
      1  -0.709709D+01 -0.194469D+02 -0.498261D+01  0.101781D+02 -0.364858D+01
      2  -0.382970D+01  0.145506D+02  0.211542D+01 -0.702608D+01 -0.885663D+01
      3   0.109268D+02  0.489621D+01  0.286719D+01 -0.315204D+01  0.125052D+02
      4  -0.163417D+01 -0.205038D+02 -0.174774D+00  0.160016D+01  0.189909D+02
      5  -0.519614D+01  0.115600D+02 -0.532003D+01  0.244585D+01  0.496576D+01
      6   0.295463D+01  0.398630D+01 -0.104424D+01  0.960681D+00 -0.556500D+01
                56            57            58            59            60 
      1   0.277170D+01  0.403743D+01 -0.317717D+01 -0.141521D+02  0.124120D+01
      2   0.128049D+02 -0.531046D+01  0.111727D+02  0.641786D+01  0.110998D+01
      3  -0.155766D+02  0.127303D+01 -0.799554D+01  0.773424D+01 -0.235119D+01
      4  -0.232789D+02 -0.520057D+01 -0.225508D+02  0.106728D+02  0.609209D+01
      5  -0.366989D+01 -0.621640D+00 -0.669307D+01  0.655331D+01  0.254133D+01
      6  -0.145695D+01 -0.907757D+01  0.793739D+00  0.381372D+01 -0.911040D+00
                61            62            63            64            65 
      1   0.329705D+01  0.408255D+01  0.307676D+01  0.684874D+01  0.102195D+02
      2  -0.223154D+01 -0.970782D+01  0.525810D+01  0.632251D+01 -0.702845D+01
      3  -0.106551D+01  0.562527D+01 -0.833486D+01 -0.131712D+02 -0.319103D+01
      4  -0.144218D+01  0.851973D+01 -0.272524D+01  0.197995D+00 -0.509085D+01
      5   0.917047D+00  0.184411D+00 -0.105096D+01 -0.529494D+01  0.769739D+01
      6  -0.528208D+01  0.276207D+01  0.118712D+02  0.127619D+02  0.159896D+02
                66            67            68            69            70 
      1  -0.393084D+01  0.168942D+02 -0.105975D+02 -0.175175D+01  0.442921D+00
      2   0.152723D+02 -0.443724D+01  0.419750D+01 -0.696741D+01  0.120727D+02
      3  -0.113414D+02 -0.124570D+02  0.640001D+01  0.871916D+01 -0.125156D+02
      4   0.768675D+01 -0.374316D+01 -0.397124D+01  0.361867D+01 -0.263934D+00
      5  -0.176289D+02  0.163253D+01  0.928834D+01 -0.986201D+01 -0.156649D+02
      6  -0.139132D+01  0.142844D+02 -0.131633D+02 -0.356620D+00  0.222228D+01
                71            72            73            74            75 
      1  -0.571621D+01 -0.604298D+01  0.241697D+02  0.262034D+01  0.116900D+02
      2   0.568234D+00 -0.226567D+01 -0.184534D+02 -0.220690D+01 -0.121635D+02
      3   0.514798D+01  0.830864D+01 -0.571628D+01 -0.413432D+00  0.473552D+00
      4   0.615140D+01  0.317823D+01  0.871318D+01  0.929566D+01  0.578532D+01
      5  -0.274456D+01 -0.532293D+01  0.210102D+02  0.358569D+01  0.185680D+02
      6  -0.317662D+01  0.223485D+01  0.266689D+01  0.138542D+01  0.360521D+01
                76            77            78            79            80 
      1  -0.459706D+01  0.128574D+01 -0.262415D+01  0.143215D+02 -0.408596D+00
      2   0.434007D+01 -0.723313D+00  0.343432D+01 -0.157403D+02 -0.398371D+00
      3   0.256983D+00 -0.562427D+00 -0.810169D+00  0.141882D+01  0.806967D+00
      4   0.616633D+01  0.943265D+00  0.271019D+01  0.681503D+01  0.334052D+01
      5  -0.309151D+01  0.380274D+01 -0.241197D+01  0.231603D+02  0.516158D+01
      6   0.230962D+01 -0.656346D-01  0.384213D+01  0.393279D+01  0.476199D+01
                81            82            83            84            85 
      1   0.786200D+01 -0.500686D+00 -0.279149D+01 -0.361040D+00 -0.426370D+01
      2  -0.166940D+02  0.691233D+01  0.895794D+01  0.995548D+00  0.106664D+02
      3   0.883196D+01 -0.641164D+01 -0.616645D+01 -0.634508D+00 -0.640269D+01
      4   0.820450D+01  0.702517D+01  0.143621D+02  0.856537D+00  0.113644D+02
      5   0.266399D+02  0.154497D+01  0.234785D+01  0.196400D+01  0.200445D+01
      6   0.530667D+01  0.906985D+00  0.260695D+01  0.662549D+00  0.332811D+01
                86            87            88            89            90 
      1  -0.407723D+02 -0.369683D+01  0.388211D+00  0.283857D+01 -0.564399D+01
      2   0.750810D+02  0.356473D+01 -0.871306D+00 -0.799712D+01  0.481588D+01
      3  -0.343088D+02  0.132096D+00  0.483095D+00  0.515854D+01  0.828110D+00
      4   0.230679D+02  0.206046D+01 -0.143837D+01 -0.242669D+01  0.148123D+01
      5   0.309290D+01  0.177881D+01  0.101192D+01  0.203559D+01 -0.185113D+00
      6   0.146447D+02  0.898056D+01  0.408563D+00  0.864122D+01  0.177692D+01
                91            92            93            94            95 
      1  -0.978337D+00  0.983728D+00  0.339094D+01 -0.168126D+01 -0.584943D+01
      2  -0.363120D+01 -0.249520D+00 -0.150845D+00  0.781498D+00  0.540683D+01
      3   0.460954D+01 -0.734208D+00 -0.324010D+01  0.899767D+00  0.442598D+00
      4  -0.187808D+01  0.315024D+01  0.305646D+01  0.534809D+00 -0.240819D+00
      5  -0.206132D+01  0.928460D+00  0.651885D+01 -0.361342D+00 -0.156014D+00
      6   0.228263D+01 -0.245107D+01 -0.483232D+01 -0.108548D+01  0.366117D+01
                96            97            98            99           100 
      1  -0.167877D+01  0.440377D+01 -0.852449D+01 -0.259571D+02  0.630172D+02
      2   0.355062D+01  0.104702D+01  0.301834D+01 -0.130882D+02 -0.289316D+02
      3  -0.187186D+01 -0.545079D+01  0.550615D+01  0.390453D+02 -0.340856D+02
      4  -0.223325D+00  0.350596D+01  0.304110D+00 -0.111548D+00 -0.331913D+02
      5  -0.550877D+00  0.500413D+01  0.620093D+00  0.226217D+01  0.188692D+02
      6   0.512889D+01 -0.271759D+01  0.124396D+02  0.299900D+02 -0.109305D+02
               101           102           103           104           105 
      1  -0.113896D+02  0.160275D+02 -0.121462D+01  0.494175D+01  0.105106D+01
      2   0.182960D+01 -0.807069D+01 -0.366074D+01  0.252923D+01 -0.357146D+00
      3   0.956002D+01 -0.795686D+01  0.487536D+01 -0.747099D+01 -0.693918D+00
      4   0.179170D+02 -0.103662D+02  0.133320D+02 -0.102227D+02 -0.252519D+00
      5  -0.610869D+01  0.111927D+02  0.341374D+01 -0.121972D+01 -0.355122D+00
      6   0.408421D+01 -0.594810D+01 -0.445572D+00  0.156005D+01  0.164604D+01
               106           107           108           109           110 
      1   0.323859D+02 -0.797215D+01  0.840460D+01  0.368815D+01 -0.992668D+01
      2  -0.178785D+02  0.391691D+01 -0.672202D+01  0.213709D+01  0.657975D+01
      3  -0.145074D+02  0.405525D+01 -0.168258D+01 -0.582524D+01  0.334694D+01
      4  -0.143308D+02  0.277947D+01 -0.337128D+01 -0.559955D+01  0.482301D+01
      5   0.950184D+01  0.676952D-01  0.934432D+01  0.152346D+01 -0.257599D+01
      6  -0.384371D+01  0.116289D+01 -0.328567D+01  0.129239D+00  0.627766D+01
               111           112           113           114           115 
      1  -0.270991D+01 -0.292832D+01 -0.257052D+02 -0.106565D+02  0.944744D+00
      2   0.271126D+01 -0.230711D+01  0.428556D+02  0.133741D+02 -0.254011D+01
      3  -0.134835D-02  0.523543D+01 -0.171503D+02 -0.271755D+01  0.159537D+01
      4  -0.239630D+01  0.127189D+02 -0.317799D+02 -0.116975D+02 -0.134615D+00
      5  -0.921725D+00  0.344298D+01 -0.140400D+02 -0.838673D+01 -0.158721D-03
      6   0.351961D+01 -0.378053D+01  0.224754D+02  0.131393D+02  0.765347D+00
               116           117           118           119           120 
      1  -0.165380D+02 -0.931434D+01 -0.102036D+00 -0.138019D+01 -0.149536D+01
      2   0.212940D+02  0.740940D+01  0.147345D+00  0.415164D+00  0.202310D+00
      3  -0.475602D+01  0.190494D+01 -0.453092D-01  0.965029D+00  0.129305D+01
      4  -0.118840D+02 -0.403257D+01  0.252314D+01  0.762947D+01  0.365890D+01
      5  -0.560162D+01 -0.404496D+01  0.825214D+00  0.470759D+01  0.573043D+01
      6   0.117031D+02  0.922460D+01  0.493434D+01  0.193066D+01  0.299145D+01
               121           122           123           124           125 
      1  -0.327351D+01 -0.184371D+02 -0.132634D+02 -0.716008D+00 -0.104942D+02
      2   0.177712D+01  0.152018D+02  0.579433D+01  0.610734D+00  0.239118D+01
      3   0.149639D+01  0.323533D+01  0.746907D+01  0.105274D+00  0.810305D+01
      4   0.633591D+01  0.518668D+01  0.293642D+01  0.821001D+00  0.213680D+01
      5   0.347010D+01  0.156600D+01  0.206566D+01  0.327942D+01  0.152399D+01
      6   0.224745D+01  0.228396D+02  0.192836D+02  0.260997D+01  0.167764D+02
               126           127           128           129           130 
      1  -0.150876D+02  0.124079D+02  0.362211D+01  0.746553D+01  0.626136D+01
      2  -0.112545D+01  0.110339D+02 -0.632895D+01 -0.137409D+02 -0.133477D+02
      3   0.162131D+02 -0.234419D+02  0.270684D+01  0.627537D+01  0.708632D+01
      4   0.336193D+01  0.729266D+01  0.518751D+00  0.409826D+01 -0.134622D+01
      5   0.129643D+01  0.685775D+01 -0.485450D+01 -0.212058D+02 -0.612984D+01
      6   0.165613D+02 -0.562152D-02  0.364549D+01  0.235138D+01  0.585084D+01
               131           132           133           134           135 
      1   0.977057D+01  0.300847D+01  0.616301D+01  0.590347D+01 -0.132209D+02
      2  -0.249007D+02  0.143702D+02 -0.119018D+02  0.575518D+01  0.129021D+02
      3   0.151301D+02 -0.173786D+02  0.573876D+01 -0.116587D+02  0.318855D+00
      4  -0.187750D+02  0.215850D+01  0.576782D+01 -0.125209D+00  0.182373D+01
      5   0.451971D+01  0.107355D+02 -0.216142D+02  0.598820D+01  0.108793D+02
      6   0.221702D+02  0.997161D+00  0.885695D+00  0.493588D+01 -0.133115D+02
               136           137           138           139           140 
      1   0.665585D-01  0.170268D+02  0.257127D+02  0.236093D+02  0.476227D-01
      2   0.248080D+01 -0.129686D+02 -0.125856D+02 -0.210770D+02 -0.147074D+02
      3  -0.254736D+01 -0.405816D+01 -0.131270D+02 -0.253233D+01  0.146597D+02
      4   0.158897D+02 -0.638125D+01  0.289516D+01 -0.123288D+02 -0.366882D+02
      5   0.272125D+02 -0.845858D+00 -0.141430D+02 -0.272620D+01 -0.419358D+01
      6   0.441839D+01 -0.846916D+00 -0.139870D+01 -0.171735D+01 -0.607583D+01
               141           142           143           144           145 
      1  -0.459501D+00  0.322414D+02 -0.156752D+01 -0.194453D+02  0.156336D+02
      2  -0.190609D+01 -0.159777D+02 -0.249028D+01  0.166417D+02  0.403566D+01
      3   0.236559D+01 -0.162637D+02  0.405780D+01  0.280359D+01 -0.196692D+02
      4  -0.346031D+01  0.425393D+01 -0.361536D+01  0.118182D+02 -0.316684D+02
      5   0.147772D+02 -0.207598D+02  0.137252D+02 -0.158479D+02 -0.416930D+01
      6   0.201681D+01 -0.211689D+01  0.267696D+01 -0.195060D+01  0.197931D+01
               146           147           148           149           150 
      1  -0.525871D+01 -0.193628D+01 -0.977270D+00 -0.451231D+01 -0.528577D+00
      2  -0.117073D+02  0.111522D+00 -0.125125D+02  0.230949D+02  0.297320D+01
      3   0.169660D+02  0.182476D+01  0.134898D+02 -0.185826D+02 -0.244463D+01
      4   0.289264D+02  0.392301D+01  0.244170D+02 -0.274618D+02 -0.351253D+01
      5   0.240033D+01  0.569080D+01  0.192530D+01 -0.266482D+01 -0.237278D+01
      6  -0.178616D+01 -0.311078D+01 -0.144887D+01  0.244850D+01  0.644837D+01
               151           152           153           154           155 
      1  -0.150806D+01 -0.509574D+00 -0.110689D+01  0.326518D+01  0.242761D+01
      2  -0.645036D-02  0.335193D+01  0.240821D+01 -0.128287D+02  0.680015D-01
      3   0.151451D+01 -0.284236D+01 -0.130131D+01  0.956352D+01 -0.249561D+01
      4   0.387517D+01 -0.399222D+01 -0.550624D+01 -0.464422D+01  0.441318D+01
      5   0.588890D+01 -0.458574D+01 -0.228892D+01  0.203638D+02 -0.517965D+01
      6  -0.419002D+01  0.819486D+01  0.994298D+00 -0.928027D+01  0.497605D+01
               156           157           158           159           160 
      1  -0.405692D+01 -0.141671D+01 -0.563363D+00  0.929774D+00 -0.319090D+01
      2  -0.126921D+02 -0.663342D+00 -0.106060D+01 -0.167018D+01 -0.111632D+02
      3   0.167490D+02  0.208005D+01  0.162396D+01  0.740409D+00  0.143541D+02
      4  -0.556766D+01  0.511095D+01 -0.153098D+01  0.265974D+01 -0.421782D+01
      5   0.195528D+02 -0.122321D+01  0.333690D+01 -0.964647D+00  0.172631D+02
      6  -0.992135D+01  0.288938D+01 -0.226031D+01  0.714294D+01 -0.697125D+01
               161           162           163           164           165 
      1   0.382074D+01 -0.115553D+02 -0.356469D+01 -0.792785D+01  0.886644D+01
      2   0.942495D+00 -0.167290D+02 -0.129864D+01  0.444967D+01  0.125639D+01
      3  -0.476324D+01  0.282843D+02  0.486333D+01  0.347818D+01 -0.101228D+02
      4   0.213514D+01 -0.385742D+01  0.850236D+01  0.836602D+01 -0.700804D+01
      5  -0.318660D+01  0.207070D+02 -0.116634D+02 -0.788331D+01  0.128801D+02
      6   0.772678D+01 -0.130000D+02 -0.100978D+02 -0.139243D+02  0.129445D+02
               166           167           168           169           170 
      1  -0.517716D+01 -0.106641D+02  0.955030D+01  0.386772D+01  0.775517D+01
      2   0.293997D+01  0.100334D+02 -0.187323D+01  0.717887D+00 -0.228405D+00
      3   0.223719D+01  0.630745D+00 -0.767706D+01 -0.458560D+01 -0.752676D+01
      4   0.764231D+01  0.612143D+01 -0.495580D+01 -0.458231D+01 -0.420876D+01
      5  -0.554982D+01 -0.693458D+01  0.523381D+01  0.897068D+01  0.492867D+01
      6  -0.896417D+01 -0.144215D+02  0.151901D+02  0.634965D+01  0.124022D+02
               171           172           173           174           175 
      1  -0.111680D+02 -0.475981D+01  0.805391D+00 -0.104094D+02 -0.110417D+01
      2  -0.339016D+01 -0.440752D+01 -0.740354D+00 -0.380462D+01  0.140215D+01
      3   0.145581D+02  0.916734D+01 -0.650367D-01  0.142140D+02 -0.297981D+00
      4   0.464668D+01 -0.933167D+01  0.389495D+00 -0.198211D+01  0.141176D+01
      5  -0.795330D+01  0.132989D+02  0.166669D+01  0.806662D+01  0.166335D+01
      6  -0.151298D+02  0.996193D-01  0.415665D+01 -0.543215D+01  0.219806D+01
               176           177           178           179           180 
      1  -0.299441D+01 -0.567964D+00 -0.621981D+01 -0.937402D-01 -0.641292D+01
      2   0.353159D+01 -0.264740D+01 -0.282714D+01 -0.124454D+01 -0.622720D+01
      3  -0.537183D+00  0.321537D+01  0.904695D+01  0.133828D+01  0.126401D+02
      4   0.109104D+01  0.177905D+00 -0.229733D+01  0.382487D+00 -0.319448D+01
      5   0.172148D+01 -0.168296D+01  0.982361D+01  0.243893D-01  0.515588D+01
      6  -0.160097D+01  0.237464D+01 -0.233388D+01  0.258976D+01 -0.180881D+01
               181           182           183           184           185 
      1  -0.570467D+00  0.149497D+01 -0.521395D+00 -0.846934D+00 -0.210362D+02
      2   0.182729D+01  0.166564D+01  0.154360D+01  0.553381D+01  0.381759D+02
      3  -0.125682D+01 -0.316061D+01 -0.102220D+01 -0.468687D+01 -0.171397D+02
      4   0.437577D+01  0.841860D+01 -0.249225D+01  0.106583D+02  0.216834D+02
      5  -0.268022D+01 -0.332029D+01  0.493468D+01 -0.446259D+01 -0.609066D+01
      6  -0.313786D+01 -0.331549D+01  0.124468D+01 -0.621672D+01 -0.306649D+02
               186           187           188           189           190 
      1   0.830393D+01  0.370789D+00  0.204838D+01 -0.256818D+01  0.860678D+01
      2  -0.581779D+01  0.186777D+01  0.154211D+01  0.118778D+01 -0.173759D+02
      3  -0.248615D+01 -0.223856D+01 -0.359049D+01  0.138041D+01  0.876907D+01
      4  -0.551481D+01  0.764632D-01  0.687838D+00  0.216290D+01  0.263038D+01
      5   0.421029D+01  0.315833D+01  0.143064D+01 -0.194861D+01 -0.236146D+02
      6   0.140259D+02  0.124625D+01  0.675889D+01 -0.319039D+01 -0.299338D+00
               191           192           193           194           195 
      1  -0.208480D+01 -0.144546D+01 -0.321639D+01 -0.795949D+00 -0.162429D+01
      2   0.376497D+01  0.171051D+02  0.692753D+01 -0.979352D+00 -0.879989D+01
      3  -0.168017D+01 -0.156596D+02 -0.371114D+01  0.177530D+01  0.104242D+02
      4   0.372378D+01 -0.327144D+01  0.289523D+01 -0.710838D+00 -0.301831D+01
      5   0.279270D+01  0.253036D+02  0.863128D+01 -0.575583D+01 -0.100255D+02
      6  -0.516365D+01  0.188222D+01 -0.438886D+01  0.188828D+01  0.531012D+01
               196           197           198           199           200 
      1  -0.115044D+01 -0.427844D+00 -0.666241D+01  0.910821D+01 -0.422872D+01
      2   0.138900D+02 -0.369639D+01 -0.225109D+02 -0.804735D+01  0.330746D+01
      3  -0.127395D+02  0.412423D+01  0.291733D+02 -0.106086D+01  0.921264D+00
      4  -0.225406D+01 -0.272444D+01  0.178206D+01 -0.304896D+01  0.297373D+01
      5   0.204474D+02 -0.314951D+01 -0.266656D+02  0.876333D+01 -0.315391D+01
      6   0.648343D+00  0.540963D+01 -0.809263D+00 -0.547636D+00  0.503025D+00
               201           202           203           204           205 
      1   0.609390D+01 -0.975555D+01  0.102019D+01 -0.216520D+01  0.128176D+02
      2  -0.643008D+01  0.655596D+01 -0.382186D+00  0.365480D+01 -0.111505D+02
      3   0.336179D+00  0.319960D+01 -0.638008D+00 -0.148959D+01 -0.166711D+01
      4  -0.178145D+01  0.448682D+01 -0.209588D+01  0.621290D+01  0.149562D+00
      5   0.142249D+02 -0.524146D+01  0.605256D+01 -0.101628D+02  0.207518D+02
      6   0.567269D+00  0.885188D+00 -0.138644D+01  0.244214D+01  0.239995D+01
               206           207           208           209           210 
      1  -0.537453D+00  0.691509D+01  0.548655D+02 -0.927455D+01 -0.184411D+02
      2   0.355795D+01 -0.172855D+02 -0.299947D+02  0.573802D+01  0.104623D+02
      3  -0.302050D+01  0.103704D+02 -0.248708D+02  0.353653D+01  0.797887D+01
      4   0.794585D+01 -0.537623D+01 -0.255422D+01  0.848870D+01  0.112747D+01
      5  -0.734686D+01  0.340363D+02 -0.197595D+02  0.305382D+01  0.156785D+02
      6   0.281654D+01  0.347664D+01 -0.198756D+01  0.386178D-01  0.186132D+01
               211           212           213           214           215 
      1  -0.194603D+02  0.735670D+01  0.473808D+01 -0.339124D+02  0.402495D+01
      2   0.113964D+02 -0.199586D+01 -0.275279D+01  0.199073D+02 -0.258770D+01
      3   0.806386D+01 -0.536084D+01 -0.198528D+01  0.140051D+02 -0.143725D+01
      4   0.109800D+02 -0.253612D+01 -0.416401D+01 -0.709666D+00 -0.641726D+01
      5   0.618111D+01 -0.405097D+01 -0.704678D+01  0.219546D+02 -0.484646D+01
      6  -0.809671D+00  0.143240D+01  0.131571D+01  0.169225D+01  0.119950D+01
               216           217           218           219           220 
      1   0.148283D+02  0.710798D+01  0.575319D+01 -0.111491D+01  0.976151D+01
      2  -0.121428D+02 -0.258131D+00 -0.572960D+00  0.920381D+00  0.459522D+01
      3  -0.268555D+01 -0.684985D+01 -0.518023D+01  0.194531D+00 -0.143567D+02
      4  -0.275506D+01  0.845317D+01  0.123826D+02  0.105653D+01  0.270462D+02
      5  -0.167916D+02 -0.616529D+00  0.169955D+01  0.324303D+01  0.412964D+01
      6  -0.124970D+01  0.796999D+00  0.870370D+00  0.289101D+00  0.333755D+01
               221           222           223           224           225 
      1  -0.442658D+01  0.236185D+00 -0.290433D+01 -0.313191D+00  0.109148D+01
      2   0.266695D+02  0.899028D+00  0.132273D+01  0.757880D+00  0.430258D+00
      3  -0.222429D+02 -0.113521D+01  0.158160D+01 -0.444689D+00 -0.152173D+01
      4   0.494686D+02  0.448061D+01  0.112904D+01  0.292765D+01  0.453528D+01
      5   0.471518D+01  0.659483D+01  0.633038D+01  0.445037D+01  0.292024D+01
      6   0.785080D+01  0.679924D+01  0.294157D+01  0.645793D+01  0.165266D+01
               226           227           228           229           230 
      1   0.161734D+02  0.116214D+02 -0.510390D+01  0.760195D+01  0.280904D+01
      2  -0.576863D+01 -0.289631D+01  0.108490D+01  0.359754D+00  0.620051D+01
      3  -0.104048D+02 -0.872511D+01  0.401899D+01 -0.796171D+01 -0.900955D+01
      4   0.194096D+02  0.229881D+02 -0.638942D+01  0.157678D+02  0.274082D+02
      5  -0.656989D+01 -0.321668D+01  0.742289D+01 -0.306455D+01 -0.673422D+01
      6  -0.493371D+01 -0.509591D+01  0.380262D+01 -0.492983D+01 -0.601083D+01
               231           232           233           234 
      1  -0.320452D+01 -0.959555D+01 -0.427281D+01  0.548537D+01
      2  -0.167703D+01  0.359099D+01 -0.209831D+01 -0.333976D+01
      3   0.488155D+01  0.600455D+01  0.637112D+01 -0.214561D+01
      4  -0.833068D+01 -0.117625D+02 -0.214930D+02  0.104400D+02
      5   0.263202D+01  0.962989D+01  0.742872D+01 -0.943305D+01
      6   0.657795D+01  0.579878D+01  0.842170D+01 -0.598220D+01
 Leave Link  716 at Thu Jul 22 19:37:37 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.131844D+03 -0.814852D+01  0.290706D+00
      2  -0.814852D+01  0.122785D+03  0.114817D+01
      3   0.290706D+00  0.114817D+01  0.106779D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.422959D+01 -0.405630D+01  0.296681D+01
      2   0.845563D+01  0.239131D+01 -0.754934D+01
      3   0.108361D+02 -0.100623D+02 -0.692975D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.133566D+02 -0.318485D+02  0.447845D+01
      2   0.199665D+02 -0.877782D+01 -0.848965D+01
      3  -0.333230D+02  0.406263D+02  0.401121D+01
      4  -0.775785D+02  0.608267D+02  0.134764D+02
      5   0.564435D+01  0.198117D+02 -0.217943D+02
      6   0.978541D+01 -0.498036D+01 -0.836466D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.190455D+01 -0.215000D+01 -0.177036D+01 -0.980354D+00  0.130561D+01
      2  -0.215000D+01 -0.141561D+01  0.104660D+01  0.130561D+01 -0.395721D+01
      3  -0.177036D+01  0.104660D+01 -0.268478D+01  0.191070D+01  0.123985D+01
                 6             7             8             9            10 
      1   0.191070D+01 -0.359353D+01  0.198482D+01 -0.360314D+01 -0.535321D-01
      2   0.123985D+01  0.198482D+01  0.279265D+01 -0.944662D+00  0.234284D+01
      3   0.404462D-01 -0.360314D+01 -0.944662D+00 -0.620499D+00  0.164610D+01
                11            12            13            14            15 
      1   0.234284D+01  0.164610D+01  0.203958D+01 -0.336597D+01 -0.130574D+00
      2  -0.345983D+01 -0.434076D-01 -0.336597D+01 -0.690934D+01  0.525281D+00
      3  -0.434076D-01  0.192774D+01 -0.130574D+00  0.525281D+00  0.102315D+01
                16            17            18            19            20 
      1   0.244175D+01  0.171002D+00  0.189152D+01 -0.137848D+02  0.100123D+02
      2   0.171002D+00  0.153567D+01 -0.265227D+00  0.100123D+02 -0.852322D+01
      3   0.189152D+01 -0.265227D+00 -0.585514D+01  0.342497D+01 -0.367660D+00
                21            22            23            24            25 
      1   0.342497D+01  0.100692D+02 -0.852682D+01 -0.183516D+01  0.278628D+00
      2  -0.367660D+00 -0.852682D+01  0.110922D+02 -0.229787D+01  0.474399D+00
      3  -0.183838D+01 -0.183516D+01 -0.229787D+01  0.279075D+01 -0.838388D+00
                26            27            28            29            30 
      1   0.474399D+00 -0.838388D+00  0.758332D+01 -0.701102D+01 -0.596457D+01
      2  -0.177733D+01  0.903997D+00 -0.701102D+01  0.806272D+01  0.244932D+01
      3   0.903997D+00  0.716717D-02 -0.596457D+01  0.244932D+01  0.280734D+01
                31            32            33            34            35 
      1  -0.105237D+02  0.902791D+01  0.882069D+00 -0.684420D+01  0.139954D+01
      2   0.902791D+01 -0.929082D+01  0.411234D+01  0.139954D+01  0.520662D+01
      3   0.882069D+00  0.411234D+01 -0.282276D+01  0.362333D+01 -0.327753D+01
                36            37            38            39            40 
      1   0.362333D+01  0.127218D+02 -0.617908D+01 -0.408988D+01 -0.256852D+01
      2  -0.327753D+01 -0.617908D+01  0.386710D+01 -0.772982D+00  0.283266D+01
      3  -0.950593D+00 -0.408988D+01 -0.772982D+00  0.271962D+01 -0.978026D+00
                41            42            43            44            45 
      1   0.283266D+01 -0.978026D+00 -0.795270D+01  0.509823D+00  0.313413D+01
      2   0.110066D+01  0.585116D+01  0.509823D+00  0.499120D+01  0.131617D+01
      3   0.585116D+01  0.655441D+00  0.313413D+01  0.131617D+01 -0.136687D+01
                46            47            48            49            50 
      1  -0.489696D+01  0.353467D+01  0.638057D+01  0.471113D+01 -0.516610D+01
      2   0.353467D+01 -0.308023D+01  0.164375D+00 -0.516610D+01 -0.764596D+01
      3   0.638057D+01  0.164375D+00 -0.243650D+01 -0.137819D+00 -0.664876D+00
                51            52            53            54            55 
      1  -0.137819D+00  0.124576D+02 -0.223808D+01 -0.272274D+01  0.203812D+01
      2  -0.664876D+00 -0.223808D+01  0.128914D+01  0.263259D+01 -0.352124D+01
      3   0.192045D+01 -0.272274D+01  0.263259D+01 -0.110628D+01 -0.253300D+01
                56            57            58            59            60 
      1  -0.352124D+01 -0.253300D+01 -0.331756D+01  0.645110D+01  0.401598D-01
      2   0.584738D+01 -0.728081D-01  0.645110D+01  0.409336D+01 -0.244448D+01
      3  -0.728081D-01 -0.138953D+01  0.401598D-01 -0.244448D+01  0.205113D+01
                61            62            63            64            65 
      1  -0.257863D+01 -0.741081D+00 -0.148977D+01  0.950083D-01 -0.954866D+00
      2  -0.741081D+00 -0.321799D+01  0.224214D+00 -0.954866D+00 -0.391053D+01
      3  -0.148977D+01  0.224214D+00  0.498003D+01  0.426324D+01  0.274248D+01
                66            67            68            69            70 
      1   0.426324D+01  0.992520D+00 -0.435149D+01  0.328212D+01  0.367087D+01
      2   0.274248D+01 -0.435149D+01  0.405126D+01 -0.121383D+01  0.181624D+01
      3   0.176690D+01  0.328212D+01 -0.121383D+01 -0.281342D+01  0.142035D+01
                71            72            73            74            75 
      1   0.181624D+01  0.142035D+01  0.455302D+01  0.622095D+00  0.265302D+01
      2  -0.425757D+00 -0.236577D+01  0.622095D+00  0.128324D+01  0.492308D+00
      3  -0.236577D+01 -0.125828D+01  0.265302D+01  0.492308D+00  0.243136D+01
                76            77            78            79            80 
      1  -0.730988D+00  0.718813D+00 -0.559305D+00  0.396761D+01  0.221036D+00
      2   0.718813D+00 -0.466243D-01  0.553589D+00  0.221036D+00  0.581279D+00
      3  -0.559305D+00  0.553589D+00 -0.314971D+00  0.332105D+01  0.828329D+00
                81            82            83            84            85 
      1   0.332105D+01  0.895771D+00  0.146726D+01 -0.916583D-01  0.152369D+01
      2   0.828329D+00  0.146726D+01  0.189405D+01  0.218709D+00  0.218728D+01
      3   0.430637D+01 -0.916583D-01  0.218709D+00 -0.104189D+00  0.259758D+00
                86            87            88            89            90 
      1   0.218728D+01  0.259758D+00 -0.677578D+00 -0.227294D+00 -0.135301D-01
      2   0.121782D+02  0.876307D+00 -0.227294D+00 -0.139548D+01  0.120923D+01
      3   0.876307D+00  0.976182D+00 -0.135301D-01  0.120923D+01  0.494647D+00
                91            92            93            94            95 
      1  -0.782272D+00 -0.125663D+00  0.958789D+00 -0.406288D+00 -0.118190D-01
      2  -0.125663D+00  0.523426D-01 -0.283245D+00 -0.118190D-01  0.675574D+00
      3   0.958789D+00 -0.283245D+00 -0.126141D+01  0.103938D-01  0.969579D+00
                96            97            98            99           100 
      1   0.103938D-01  0.128401D+01 -0.273116D-01 -0.921209D+00  0.958366D+01
      2   0.969579D+00 -0.273116D-01  0.160380D+01  0.188633D+01 -0.255809D+01
      3  -0.137216D+00 -0.921209D+00  0.188633D+01  0.873624D+01  0.305248D+01
               101           102           103           104           105 
      1  -0.255809D+01  0.305248D+01 -0.744903D+00  0.155954D+01  0.469419D+00
      2   0.181139D+01 -0.865119D+00  0.155954D+01 -0.163117D+01 -0.247021D+00
      3  -0.865119D+00  0.146942D+01  0.469419D+00 -0.247021D+00  0.151552D-01
               106           107           108           109           110 
      1   0.538544D+01 -0.872768D+00  0.145374D+01  0.112284D+01 -0.121021D+01
      2  -0.872768D+00 -0.553294D-01 -0.309627D-02 -0.121021D+01 -0.819305D+00
      3   0.145374D+01 -0.309627D-02  0.109613D+01  0.170871D+00 -0.110096D+01
               111           112           113           114           115 
      1   0.170871D+00 -0.150437D+01  0.148710D+01  0.434892D+00  0.710228D-01
      2  -0.110096D+01  0.148710D+01 -0.845039D+01 -0.314765D+01 -0.100367D+00
      3  -0.567480D+00  0.434892D+00 -0.314765D+01 -0.182662D+01 -0.263822D+00
               116           117           118           119           120 
      1  -0.100367D+00 -0.263822D+00 -0.595909D+00 -0.931395D+00 -0.465508D+00
      2  -0.422091D+01 -0.162329D+01 -0.931395D+00 -0.912527D+00 -0.431709D+00
      3  -0.162329D+01 -0.132038D+01 -0.465508D+00 -0.431709D+00 -0.732265D+00
               121           122           123           124           125 
      1  -0.164323D+01 -0.547609D+00 -0.519127D+00  0.106617D+00 -0.491437D+00
      2  -0.547609D+00 -0.549392D+01 -0.343608D+01 -0.491437D+00 -0.267552D+01
      3  -0.519127D+00 -0.343608D+01 -0.293709D+01 -0.584721D+00 -0.278519D+01
               126           127           128           129           130 
      1  -0.584721D+00 -0.248887D+01 -0.156801D+01 -0.490171D+01 -0.198721D+01
      2  -0.278519D+01 -0.156801D+01  0.133089D+01  0.116857D+00  0.214651D+01
      3  -0.366981D+01 -0.490171D+01  0.116857D+00  0.227609D+01  0.589982D+00
               131           132           133           134           135 
      1   0.214651D+01  0.589982D+00 -0.469979D+01  0.482027D+00  0.227309D+01
      2   0.693580D+01 -0.905599D+00  0.482027D+00  0.195074D+00 -0.269138D+01
      3  -0.905599D+00 -0.301278D+01  0.227309D+01 -0.269138D+01 -0.266822D-01
               136           137           138           139           140 
      1   0.284673D+00 -0.248040D+01 -0.450368D+01 -0.383622D+01  0.361117D+01
      2  -0.248040D+01  0.135931D+01  0.437601D-01  0.361117D+01  0.690115D+01
      3  -0.450368D+01  0.437601D-01  0.204252D+01  0.219022D+00  0.103750D+01
               141           142           143           144           145 
      1   0.219022D+00 -0.655290D+01  0.988208D+00  0.331410D+01 -0.628134D+01
      2   0.103750D+01  0.988208D+00  0.330762D+00 -0.252994D+01  0.442095D+01
      3  -0.288120D+01  0.331410D+01 -0.252994D+01  0.289904D+01  0.100448D+01
               146           147           148           149           150 
      1   0.442095D+01  0.100448D+01  0.333399D+01 -0.390524D+01 -0.210484D+00
      2  -0.469287D+01 -0.577530D+00 -0.390524D+01  0.533168D+01  0.916663D+00
      3  -0.577530D+00 -0.791400D+00 -0.210484D+00  0.916663D+00  0.675395D+00
               151           152           153           154           155 
      1   0.108739D+01 -0.377861D+00 -0.950720D+00 -0.464143D+01  0.893847D+00
      2  -0.377861D+00  0.110935D+01  0.126298D+01  0.893847D+00 -0.101792D+01
      3  -0.950720D+00  0.126298D+01  0.370710D+00 -0.335735D+01  0.685979D+00
               156           157           158           159           160 
      1  -0.335735D+01 -0.270843D+00 -0.462675D+00  0.798277D-01 -0.291560D+01
      2   0.685979D+00 -0.462675D+00  0.104972D+00 -0.743917D+00  0.619495D+00
      3  -0.401452D+01  0.798277D-01 -0.743917D+00  0.437405D+00 -0.335806D+01
               161           162           163           164           165 
      1   0.619495D+00 -0.335806D+01  0.302813D+01  0.202384D+01 -0.256534D+01
      2  -0.995496D+00  0.122258D+01  0.202384D+01  0.278140D+01 -0.220136D+01
      3   0.122258D+01 -0.554079D+01 -0.256534D+01 -0.220136D+01  0.306247D+01
               166           167           168           169           170 
      1   0.109371D+01  0.198460D+01 -0.128488D+01 -0.119090D+01 -0.110067D+01
      2   0.198460D+01  0.294862D+01 -0.218070D+01 -0.110067D+01 -0.148044D+01
      3  -0.128488D+01 -0.218070D+01  0.248297D+01  0.133229D+01  0.221964D+01
               171           172           173           174           175 
      1   0.133229D+01  0.529039D+01  0.626087D+00  0.174080D+01  0.807190D+00
      2   0.221964D+01  0.626087D+00  0.915931D+00 -0.242465D+00  0.491397D+00
      3  -0.347116D+01  0.174080D+01 -0.242465D+00  0.273412D+01 -0.641619D-01
               176           177           178           179           180 
      1   0.491397D+00 -0.641619D-01  0.156312D+01  0.538526D-01  0.152044D+01
      2  -0.285973D+00  0.428501D+00  0.538526D-01  0.358882D+00  0.174718D+00
      3   0.428501D+00  0.557686D+00  0.152044D+01  0.174718D+00  0.211530D+01
               181           182           183           184           185 
      1  -0.437281D+00 -0.100201D+01  0.741910D+00 -0.136782D+01 -0.182666D+01
      2  -0.100201D+01 -0.988331D+00  0.185672D+00 -0.182666D+01 -0.882897D+01
      3   0.741910D+00  0.185672D+00 -0.601282D+00  0.453607D+00  0.227695D+01
               186           187           188           189           190 
      1   0.453607D+00  0.212961D+00 -0.115637D+00 -0.387297D+00 -0.382767D+01
      2   0.227695D+01 -0.115637D+00 -0.828534D-02 -0.753766D+00  0.519990D+00
      3  -0.181803D+01 -0.387297D+00 -0.753766D+00  0.390166D+00  0.359295D+01
               191           192           193           194           195 
      1   0.519990D+00  0.359295D+01  0.154171D+01 -0.949051D+00 -0.123035D+01
      2  -0.105771D+01 -0.203082D+00 -0.949051D+00  0.235677D+00  0.104430D+01
      3  -0.203082D+00 -0.422301D+01 -0.123035D+01  0.104430D+01  0.234517D+01
               196           197           198           199           200 
      1   0.256920D+01 -0.251920D+00 -0.322915D+01 -0.139269D+01  0.775721D+00
      2  -0.251920D+00  0.647415D+00  0.780878D+00  0.775721D+00 -0.357320D+00
      3  -0.322915D+01  0.780878D+00  0.572762D+01 -0.122871D+01  0.318948D+00
               201           202           203           204           205 
      1  -0.122871D+01  0.173533D+01 -0.697687D+00  0.596181D+00 -0.257838D+01
      2   0.318948D+00 -0.697687D+00  0.374839D+00 -0.117741D+01  0.629008D-01
      3  -0.164225D+01  0.596181D+00 -0.117741D+01  0.172629D+01 -0.274194D+01
               206           207           208           209           210 
      1   0.629008D-01 -0.274194D+01 -0.763834D+01  0.106799D+01  0.276473D+01
      2  -0.130588D+01  0.136002D+01  0.106799D+01 -0.901250D+00 -0.498367D+00
      3   0.136002D+01 -0.579687D+01  0.276473D+01 -0.498367D+00 -0.180947D+01
               211           212           213           214           215 
      1   0.330139D+01 -0.179304D+01 -0.859914D+00  0.599552D+01 -0.651192D+00
      2  -0.179304D+01  0.331821D+00  0.585793D+00 -0.651192D+00  0.909211D+00
      3  -0.859914D+00  0.585793D+00  0.105160D+01 -0.287927D+01  0.735222D+00
               216           217           218           219           220 
      1  -0.287927D+01 -0.133383D+01 -0.106680D+01  0.192073D+00 -0.323848D+01
      2   0.735222D+00 -0.106680D+01 -0.918173D+00 -0.715807D-01 -0.381909D+01
      3   0.228129D+01  0.192073D+00 -0.715807D-01 -0.201038D+00 -0.533454D+00
               221           222           223           224           225 
      1  -0.381909D+01 -0.533454D+00  0.399641D+00 -0.251210D+00 -0.909878D+00
      2  -0.842907D+01 -0.791837D+00 -0.251210D+00 -0.456556D+00 -0.811870D+00
      3  -0.791837D+00 -0.979356D+00 -0.909878D+00 -0.811870D+00 -0.494753D+00
               226           227           228           229           230 
      1   0.286274D+01  0.245123D+01 -0.111523D+01  0.197102D+01  0.161955D+01
      2   0.245123D+01  0.284907D+01 -0.732730D+00  0.161955D+01  0.461367D+01
      3  -0.111523D+01 -0.732730D+00  0.105992D+01 -0.884880D+00 -0.116654D+01
               231           232           233           234 
      1  -0.884880D+00 -0.190720D+01 -0.133652D+01  0.160959D+01
      2  -0.116654D+01 -0.133652D+01 -0.353607D+01  0.129481D+01
      3   0.794225D+00  0.160959D+01  0.129481D+01 -0.192661D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.195127D+01 -0.184457D+01  0.311830D+01  0.697649D+00 -0.385401D+01
      2  -0.688486D+01  0.744545D+01 -0.478710D+01  0.660386D+01  0.517558D+01
      3   0.887728D+01 -0.889867D+01 -0.732193D+01 -0.296418D+01  0.594509D+01
                 6             7             8             9            10 
      1  -0.938844D+00  0.386850D+01  0.992084D+01  0.282855D+01 -0.193807D+01
      2  -0.253660D+00 -0.102685D+02 -0.616979D+01 -0.181986D+00  0.205385D+01
      3  -0.168671D+01 -0.104014D+02 -0.292333D+01 -0.304068D+01 -0.907452D+00
                11            12            13            14            15 
      1  -0.323156D+01 -0.441716D+01 -0.316387D+01 -0.113749D+02 -0.428125D+01
      2  -0.233682D+01  0.138579D+00 -0.330426D+01  0.236952D+01  0.767657D+00
      3   0.824963D+01  0.488429D+01  0.120896D+02 -0.538380D+01 -0.240050D+00
                16            17            18            19            20 
      1  -0.525003D+01  0.562717D+01  0.156837D+02 -0.236884D+01  0.242845D+01
      2  -0.491556D+01  0.560530D+00 -0.561298D+01  0.166649D+01  0.699689D+01
      3   0.677168D+01  0.417522D+00  0.329658D+01  0.426140D+01 -0.186055D+01
                21            22            23            24            25 
      1  -0.641750D+01 -0.123651D+01 -0.926168D+01  0.724019D+01 -0.893743D+01
      2  -0.534188D+01  0.313934D+01 -0.787223D+01  0.812551D+01 -0.146377D+02
      3  -0.475122D+01  0.116998D+02 -0.176245D+02  0.807117D+01  0.995659D+00
                26            27            28            29            30 
      1   0.143628D+02  0.196689D+01 -0.884146D+01 -0.513812D+00  0.562333D+01
      2   0.775817D+01 -0.217361D+01 -0.801923D+01  0.392787D+01  0.733050D+01
      3   0.317473D+01 -0.123552D+00  0.855753D+01 -0.143068D+02  0.417784D+01
                31            32            33            34            35 
      1  -0.356887D+01  0.114803D+02 -0.884111D+01  0.170210D+01 -0.239367D+00
      2  -0.277786D+01  0.159253D+02 -0.853726D+01 -0.146511D+01 -0.435249D+01
      3  -0.480656D+00  0.492367D+01 -0.124922D+02  0.923789D+01 -0.174857D+02
                36            37            38            39            40 
      1   0.314978D+01 -0.870356D+00 -0.208008D+01  0.301319D+01 -0.482844D+01
      2  -0.224754D+01  0.123113D+02 -0.810091D+01 -0.261070D+01 -0.382399D+01
      3   0.216975D+01 -0.247606D+01  0.322813D+00  0.156436D+01  0.890789D+01
                41            42            43            44            45 
      1   0.815090D+01 -0.953920D+01  0.681651D+01 -0.480045D+01 -0.253688D+01
      2   0.364626D+01 -0.199169D+01 -0.171950D+02  0.472308D+01  0.406638D+01
      3  -0.470457D+01 -0.178735D+01  0.272636D+01  0.733468D+00 -0.226999D+01
                46            47            48            49            50 
      1   0.406296D+01 -0.403245D+00 -0.165388D+01 -0.181996D+01 -0.423243D+01
      2  -0.151195D+02  0.166032D+01  0.942376D+01  0.364905D+01 -0.105711D+01
      3   0.458635D+01 -0.110129D+02 -0.215499D+01 -0.151874D+01 -0.145890D+02
                51            52            53            54            55 
      1  -0.120498D+01 -0.398111D+01  0.810250D+01  0.852638D+00  0.377492D+01
      2  -0.372130D+01  0.482731D+01 -0.830677D+01  0.413807D+01  0.265481D+01
      3  -0.163656D+01 -0.577786D+01  0.115335D+01  0.799170D+01 -0.337966D+01
                56            57            58            59            60 
      1   0.168002D+01  0.542579D+01  0.236258D+01  0.453895D+01 -0.495168D+01
      2   0.231841D+01  0.395765D+01  0.151667D+01  0.236056D+01 -0.162491D+01
      3  -0.434233D+01 -0.415028D+01  0.359498D+01  0.140364D+02 -0.227241D+01
                61            62            63            64            65 
      1   0.318209D+01  0.229055D+01 -0.119153D+02 -0.192316D+01  0.368105D+01
      2  -0.121402D+01 -0.224168D+01 -0.572774D+01 -0.179077D+01 -0.557288D+01
      3  -0.559087D+01 -0.434704D+01 -0.346426D+01  0.123285D+01 -0.726899D+01
                66            67            68            69            70 
      1  -0.105694D+02  0.707374D+01 -0.899030D+01  0.451977D+01 -0.752984D+01
      2   0.119668D+02 -0.272251D+01 -0.732049D+01  0.926637D+01  0.418166D+01
      3   0.799962D+01 -0.188524D+01 -0.808630D+00  0.325202D+01  0.530855D+01
                71            72            73            74            75 
      1   0.762505D+01  0.887037D+01 -0.304817D+01  0.490644D+00 -0.299514D+01
      2   0.708615D+01  0.704125D+01  0.269582D+01  0.157669D+01  0.621865D+01
      3   0.143179D+01  0.179396D+01  0.391199D+01 -0.392204D+01  0.225774D+01
                76            77            78            79            80 
      1   0.250264D+00  0.415720D-01 -0.150657D+00 -0.323707D+01  0.111051D+01
      2  -0.611039D+00  0.513374D+00 -0.886463D+00  0.314939D+01  0.219429D+01
      3  -0.270301D+00  0.222017D+01 -0.108591D+01  0.476401D+01 -0.239699D+01
                81            82            83            84            85 
      1  -0.454001D+01  0.170700D+01  0.189974D+01  0.859469D-01  0.129429D+01
      2   0.911924D+01 -0.100106D+01 -0.108981D+01  0.151011D+01 -0.177127D+01
      3   0.251012D+01  0.207406D+01  0.216849D-01 -0.646724D+00  0.579556D+01
                86            87            88            89            90 
      1   0.971426D+01 -0.481833D+01  0.149944D+00 -0.232827D+01  0.150888D+00
      2  -0.144293D+01  0.860786D+00 -0.670035D-01  0.498327D+00  0.175857D+00
      3  -0.279251D+01  0.369674D+00 -0.196704D+01  0.642551D+00 -0.601976D+00
                91            92            93            94            95 
      1  -0.245977D+01 -0.467109D+00  0.289986D+01 -0.677705D+00 -0.151829D+01
      2   0.140329D+01  0.500995D+00 -0.702659D+00  0.122636D+01  0.654700D+00
      3  -0.224994D+01 -0.223421D+01  0.170505D+01 -0.606288D+00  0.107668D+01
                96            97            98            99           100 
      1   0.138910D+01  0.251257D+01  0.163382D+01 -0.183795D+02  0.790660D+01
      2  -0.519731D+00 -0.552397D+01  0.817081D+00  0.582459D+01  0.109911D+02
      3  -0.594375D+00  0.375373D+01 -0.742212D+00 -0.223403D+01 -0.111361D+02
               101           102           103           104           105 
      1  -0.111478D+01  0.347232D+01  0.298299D+00  0.357419D+00 -0.142219D+00
      2  -0.497118D+01  0.843248D+01  0.125272D+01 -0.130475D+01  0.412532D+00
      3  -0.308767D+01 -0.381433D+01 -0.119934D+01  0.105843D+01 -0.477622D-01
               106           107           108           109           110 
      1   0.342786D+01  0.717827D+00  0.158398D+01  0.201283D+01 -0.193441D+01
      2   0.254392D+01  0.213992D+01  0.517308D+01 -0.180913D+00 -0.283983D+01
      3  -0.908947D+01  0.112556D+01 -0.196739D+01  0.253524D+01  0.349637D+01
               111           112           113           114           115 
      1  -0.180932D+01  0.151945D+01 -0.281755D+01 -0.557339D+01 -0.209956D+01
      2  -0.847793D+00 -0.135493D+01 -0.744727D+01 -0.387561D+01 -0.882533D+00
      3   0.258534D+01  0.187229D+01  0.198030D+02  0.804283D+01  0.112861D+01
               116           117           118           119           120 
      1   0.121363D+01 -0.339782D+01  0.714414D+00  0.669572D+00 -0.104154D+00
      2  -0.502481D+01 -0.244717D+01 -0.541946D+00 -0.518307D+00  0.958721D+00
      3   0.124238D+02  0.424272D+01  0.229832D-01 -0.974760D+00 -0.198626D+00
               121           122           123           124           125 
      1  -0.372225D+00  0.592764D+01 -0.118788D+01 -0.253243D-01  0.353406D+01
      2  -0.293181D+01 -0.229853D+00  0.300180D+00 -0.254820D+01 -0.507043D+00
      3   0.504463D+01  0.155774D-01  0.191251D+00  0.131763D+01  0.154504D+00
               126           127           128           129           130 
      1  -0.850887D+00 -0.932451D+01  0.218418D+01  0.280373D+01  0.606882D+01
      2  -0.403832D+00  0.141442D+02  0.119979D+01  0.101610D+02  0.239216D+01
      3   0.230027D+00  0.246580D+01  0.147593D+01  0.702254D+01  0.602292D+01
               131           132           133           134           135 
      1   0.151882D+02 -0.941482D+01  0.330382D+01 -0.527224D+00 -0.659332D+01
      2  -0.211986D+01  0.271636D+01  0.534604D+01  0.337806D+01 -0.433694D+01
      3   0.752474D+01 -0.122097D+01  0.686933D+01  0.212641D+00 -0.613203D+01
               136           137           138           139           140 
      1  -0.241252D+01 -0.103898D+00  0.270548D+01 -0.132549D+01 -0.151017D+01
      2   0.126853D+02 -0.191984D+01 -0.821988D+01 -0.303306D+01 -0.198490D+01
      3  -0.864098D+01  0.568123D+01  0.356334D+01  0.160509D+02  0.207455D+02
               141           142           143           144           145 
      1  -0.532042D+01  0.433786D+01 -0.899845D+00  0.422748D+01 -0.170943D+01
      2   0.940722D+01 -0.199126D+02  0.911094D+01 -0.113094D+02 -0.432702D-01
      3   0.370467D+01  0.401836D+01  0.290413D+01 -0.119843D+02 -0.743450D+01
               146           147           148           149           150 
      1   0.281665D+00  0.312332D+01  0.444482D+00 -0.149194D+01 -0.415065D+01
      2   0.617948D+00  0.345201D+01 -0.560640D+00 -0.570707D+00 -0.233177D+01
      3  -0.103415D+01  0.946657D+00  0.489570D+01  0.167924D+00  0.227955D+00
               151           152           153           154           155 
      1   0.178333D+01 -0.726745D+00 -0.595998D+00  0.307442D+01  0.301512D+01
      2  -0.295627D+00 -0.124827D+01 -0.522624D+00 -0.101645D+02  0.351954D+00
      3   0.170244D+01  0.112402D+01 -0.173385D+00 -0.603403D+01 -0.190396D+01
               156           157           158           159           160 
      1   0.425964D+01  0.104184D+01  0.135852D+01 -0.592959D+00  0.335527D+01
      2  -0.266227D+01 -0.562386D+00 -0.690783D+00 -0.738206D+00 -0.667941D+01
      3  -0.339385D+01  0.974923D+00 -0.525952D-01 -0.391010D+00 -0.333978D+01
               161           162           163           164           165 
      1   0.246943D+01  0.359181D+01 -0.170910D+01 -0.481898D+01 -0.399959D+00
      2  -0.126369D+00 -0.243189D+01  0.975392D+01  0.502655D+01 -0.408825D+01
      3  -0.117846D+01 -0.323249D+01  0.594371D+01  0.171605D+01 -0.353549D+01
               166           167           168           169           170 
      1  -0.227414D+01 -0.387457D+01 -0.142361D+01  0.383266D+00  0.238111D+01
      2   0.445998D+01  0.505880D+01 -0.320609D+01 -0.465386D+01 -0.325840D+01
      3   0.467357D+01  0.208492D+01 -0.241067D+01 -0.279413D+01 -0.489168D+00
               171           172           173           174           175 
      1   0.911397D-01  0.424982D+01  0.352506D+01  0.235069D+01  0.234306D+01
      2   0.294080D+01 -0.185294D+02 -0.179984D+01 -0.350142D+01 -0.211443D+01
      3   0.233576D+01 -0.735658D+01 -0.226354D+01 -0.256074D+01  0.573429D+00
               176           177           178           179           180 
      1   0.101470D+01  0.318973D+00  0.227302D+01  0.216281D+01  0.239313D+01
      2  -0.172759D+01 -0.673505D+00 -0.653993D+01 -0.759918D+00 -0.414304D+01
      3  -0.106478D+01 -0.123012D-01 -0.246408D+01 -0.860931D+00 -0.158525D+01
               181           182           183           184           185 
      1  -0.113546D+01 -0.183797D+01 -0.593836D+00 -0.323537D+01 -0.164499D+02
      2  -0.824846D+00  0.100225D+01  0.598124D+00  0.279194D+01 -0.391408D+00
      3  -0.130045D+01 -0.114976D+01  0.119005D+00  0.307369D+01 -0.926909D+01
               186           187           188           189           190 
      1  -0.125351D+01 -0.469621D+00  0.549765D+00 -0.117414D+01  0.537532D+01
      2   0.200722D+01 -0.956903D+00  0.248513D+00  0.390190D+00  0.408880D+01
      3   0.248801D+01 -0.188247D+00 -0.340118D+00 -0.204374D+00  0.382976D+01
               191           192           193           194           195 
      1  -0.395072D+01 -0.516836D+01 -0.307079D+01  0.223664D+01  0.345685D+01
      2  -0.111184D+01  0.631920D+00 -0.236618D+01  0.210282D-01 -0.125475D+01
      3  -0.358331D+01 -0.363575D+01 -0.160379D+01  0.138467D+01  0.221167D+01
               196           197           198           199           200 
      1  -0.427225D+01  0.458074D+01  0.751157D+01 -0.162797D+01  0.784735D+00
      2  -0.500687D+01 -0.308591D-02 -0.952194D+00  0.305259D+01 -0.100517D+00
      3  -0.297705D+01  0.226019D+01  0.392355D+01  0.294429D+01 -0.194316D+01
               201           202           203           204           205 
      1  -0.994348D+00  0.455332D+00 -0.172208D+01  0.146246D+01 -0.135291D+01
      2   0.494590D+01  0.629662D+00  0.359471D+01 -0.655058D+01  0.308174D+01
      3   0.160165D+01 -0.118693D+01  0.223008D+01 -0.416286D+01  0.113870D+01
               206           207           208           209           210 
      1   0.465763D+01 -0.532467D+01  0.186330D+01 -0.920931D+00 -0.904161D+00
      2  -0.554108D+01  0.181474D+02 -0.999146D+01  0.179118D+01  0.982104D+01
      3  -0.574301D+01  0.661046D+01  0.850086D+01 -0.645201D+01 -0.316752D+01
               211           212           213           214           215 
      1  -0.362082D+00  0.861574D+00 -0.301517D+00 -0.186474D+01  0.169655D+01
      2   0.336661D+01 -0.232487D+01 -0.446254D+01  0.849680D+01 -0.287728D+01
      3  -0.505738D+01  0.234852D+01  0.213641D+01 -0.464931D+01  0.458624D+01
               216           217           218           219           220 
      1   0.939395D+00  0.546787D+00  0.377619D+00 -0.491257D+00  0.365249D+00
      2  -0.897368D+01 -0.684355D+00 -0.292378D-01  0.191577D+01  0.451288D+00
      3   0.422433D+01 -0.279055D+01 -0.371554D+01 -0.543535D+00 -0.511907D+01
               221           222           223           224           225 
      1   0.268105D+01 -0.384567D+01 -0.495186D+00  0.464671D+00 -0.409090D+00
      2   0.118678D+01  0.377041D+01  0.173484D+01  0.149215D+01  0.121907D+01
      3  -0.243003D+02 -0.189268D+01 -0.106305D+01 -0.166984D+01 -0.150483D+01
               226           227           228           229           230 
      1   0.212919D+01  0.220420D+01 -0.236315D+01  0.157281D+01  0.297220D+01
      2  -0.357770D+01 -0.345134D+01  0.468935D+01 -0.354528D+01 -0.402184D+01
      3  -0.196031D+01 -0.240019D+01  0.867332D+00  0.255541D+01 -0.905086D+01
               231           232           233           234 
      1  -0.384508D+01 -0.165857D+01 -0.418882D+01  0.245656D+01
      2   0.299380D+01  0.346769D+01  0.448502D+01 -0.691443D+01
      3   0.138138D+01  0.569386D+00  0.583228D+01 -0.810387D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.796578D+01 -0.103647D+02 -0.691848D+01 -0.275430D+01 -0.209065D+00
      2   0.713302D+01  0.629252D+01  0.946441D+01  0.679227D+00  0.112906D+01
      3   0.832759D+00  0.407222D+01 -0.254593D+01  0.207508D+01 -0.919995D+00
      4  -0.814452D+01 -0.183896D+02  0.264433D+01 -0.462859D+01 -0.240800D+02
      5  -0.101373D+02  0.412507D+00 -0.173978D+02  0.678644D+01  0.476818D+01
      6  -0.167910D+01  0.824493D+01 -0.228297D+01  0.484189D+01  0.406984D+01
                 6             7             8             9            10 
      1   0.829208D+01 -0.873357D+01  0.809886D+01 -0.137997D+02 -0.576937D+01
      2  -0.242547D+01  0.127158D+02  0.523949D-01  0.116313D+02  0.514946D+01
      3  -0.586661D+01 -0.398227D+01 -0.815125D+01  0.216845D+01  0.619910D+00
      4   0.768247D+01  0.797900D+01  0.188590D+02 -0.113866D+02 -0.124150D+01
      5   0.144488D+01 -0.218625D+02 -0.511288D+01 -0.879052D+01  0.227966D+01
      6  -0.281817D+01 -0.604084D+01 -0.715369D+01 -0.523690D+00  0.763918D+01
                11            12            13            14            15 
      1   0.934745D+01 -0.153253D+01  0.136022D+02  0.226954D+02 -0.259177D+01
      2  -0.136039D+02 -0.238400D+00 -0.162518D+02 -0.457462D+02  0.496529D+00
      3   0.425642D+01  0.177093D+01  0.264961D+01  0.230508D+02  0.209524D+01
      4  -0.340953D+01  0.211156D+01  0.257131D+01 -0.141565D+02 -0.589126D+00
      5   0.136475D+01  0.851620D+00  0.165000D+01 -0.367164D+01  0.963566D+00
      6  -0.183448D+01  0.714994D+01 -0.363482D+01 -0.327661D+01  0.448544D+01
                16            17            18            19            20 
      1  -0.215828D+01 -0.463875D+01  0.155412D+02 -0.178467D+02  0.939991D+01
      2  -0.341439D+01  0.116939D+02  0.800407D+01 -0.750198D+01  0.123836D+02
      3   0.557267D+01 -0.705510D+01 -0.235452D+02  0.253487D+02 -0.217835D+02
      4   0.196134D+01 -0.228868D+01  0.388392D+01  0.577961D+02 -0.407282D+02
      5   0.438363D+01  0.796036D+00  0.321660D+01  0.249269D+02 -0.732833D+01
      6   0.604854D+01  0.139469D+01 -0.185662D+02 -0.116226D+02  0.232648D+01
                21            22            23            24            25 
      1   0.135623D+02  0.240438D+02 -0.187565D+02 -0.116703D+02 -0.173074D+01
      2  -0.992257D+01 -0.252068D+01 -0.763061D+01  0.164009D+02 -0.610059D+00
      3  -0.363977D+01 -0.215231D+02  0.263871D+02 -0.473063D+01  0.234080D+01
      4  -0.791123D+01 -0.499882D+02  0.639167D+02 -0.319898D+00 -0.356976D+01
      5  -0.100125D+02 -0.194116D+02  0.384153D+01  0.166387D+02  0.107448D+02
      6   0.107294D+02  0.829625D+01  0.335336D+01 -0.624987D+01  0.383945D+00
                26            27            28            29            30 
      1  -0.332295D+01 -0.391014D+01  0.788399D+01 -0.111296D+02 -0.245838D+02
      2   0.702412D+01 -0.853574D+01  0.480625D+01 -0.869264D+01  0.164291D+02
      3  -0.370117D+01  0.124459D+02 -0.126902D+02  0.198222D+02  0.815472D+01
      4  -0.327418D+01  0.848518D+01 -0.380815D+02  0.467740D+02  0.212613D+02
      5   0.120776D+01 -0.484294D+01 -0.451632D+02  0.179919D+02  0.188260D+02
      6   0.723564D+01 -0.108294D+01  0.223847D+02 -0.128870D+02 -0.102429D+02
                31            32            33            34            35 
      1  -0.159018D+02  0.208195D+02  0.182191D+02 -0.381439D+02  0.259646D+02
      2  -0.994200D+01  0.706988D+01 -0.237844D+02  0.250746D+02 -0.308642D+02
      3   0.258438D+02 -0.278894D+02  0.556529D+01  0.130693D+02  0.489953D+01
      4   0.561033D+02 -0.544220D+02  0.922138D+01  0.170943D+02  0.124212D+02
      5   0.957335D+01  0.102396D+02 -0.136384D+02  0.257303D+02 -0.196195D+02
      6  -0.552221D+01 -0.213419D+02  0.830500D+01 -0.155618D+02  0.149873D+02
                36            37            38            39            40 
      1   0.330941D+01  0.523916D+01 -0.669896D+01  0.263176D+01 -0.119165D+02
      2  -0.470706D+01  0.598144D+01  0.451337D+00 -0.531914D+01 -0.600926D+00
      3   0.139765D+01 -0.112206D+02  0.624763D+01  0.268738D+01  0.125174D+02
      4  -0.185284D+02 -0.331769D+02  0.107181D+02  0.455218D+01  0.646053D+01
      5  -0.114850D+02 -0.461881D+01  0.263711D-01 -0.847694D+00  0.415923D+01
      6  -0.158769D+01  0.530220D+01 -0.861285D+01 -0.367186D+01 -0.904142D+01
                41            42            43            44            45 
      1   0.269364D+02  0.724504D+01  0.175725D+02  0.501730D+01  0.401744D+01
      2  -0.658267D+01 -0.358331D+01 -0.112490D+02 -0.743432D+01 -0.852569D-01
      3  -0.203537D+02 -0.366173D+01 -0.632355D+01  0.241702D+01 -0.393218D+01
      4  -0.102567D+02 -0.204767D+01  0.140785D+02 -0.596661D+01 -0.655899D+01
      5  -0.640782D+01  0.304014D+01 -0.776624D+01  0.379193D+01 -0.196188D+01
      6  -0.249780D+01 -0.212918D+02 -0.141070D+01 -0.172964D+02 -0.142317D+01
                46            47            48            49            50 
      1  -0.165830D+02 -0.650286D+01 -0.145295D+02 -0.267924D+01 -0.671593D-01
      2   0.149093D+01  0.371966D+01  0.126762D+02  0.732840D+01  0.827117D+00
      3   0.150921D+02  0.278320D+01  0.185335D+01 -0.464916D+01 -0.759958D+00
      4   0.261212D+01  0.380398D+01 -0.919893D+01  0.426489D+00  0.212202D+02
      5  -0.158020D+02 -0.139035D+01  0.890865D+01 -0.708311D+00 -0.157856D+01
      6  -0.621532D+01  0.338642D+00  0.370879D+01  0.101372D+01 -0.829395D+01
                51            52            53            54            55 
      1  -0.709709D+01 -0.194469D+02 -0.498261D+01  0.101781D+02 -0.364858D+01
      2  -0.382970D+01  0.145506D+02  0.211542D+01 -0.702608D+01 -0.885663D+01
      3   0.109268D+02  0.489621D+01  0.286719D+01 -0.315204D+01  0.125052D+02
      4  -0.163417D+01 -0.205038D+02 -0.174774D+00  0.160016D+01  0.189909D+02
      5  -0.519614D+01  0.115600D+02 -0.532003D+01  0.244585D+01  0.496576D+01
      6   0.295463D+01  0.398630D+01 -0.104424D+01  0.960681D+00 -0.556500D+01
                56            57            58            59            60 
      1   0.277170D+01  0.403743D+01 -0.317717D+01 -0.141521D+02  0.124120D+01
      2   0.128049D+02 -0.531046D+01  0.111727D+02  0.641786D+01  0.110998D+01
      3  -0.155766D+02  0.127303D+01 -0.799554D+01  0.773424D+01 -0.235119D+01
      4  -0.232789D+02 -0.520057D+01 -0.225508D+02  0.106728D+02  0.609209D+01
      5  -0.366989D+01 -0.621640D+00 -0.669307D+01  0.655331D+01  0.254133D+01
      6  -0.145695D+01 -0.907757D+01  0.793739D+00  0.381372D+01 -0.911040D+00
                61            62            63            64            65 
      1   0.329705D+01  0.408255D+01  0.307676D+01  0.684874D+01  0.102195D+02
      2  -0.223154D+01 -0.970782D+01  0.525810D+01  0.632251D+01 -0.702845D+01
      3  -0.106551D+01  0.562527D+01 -0.833486D+01 -0.131712D+02 -0.319103D+01
      4  -0.144218D+01  0.851973D+01 -0.272524D+01  0.197995D+00 -0.509085D+01
      5   0.917047D+00  0.184411D+00 -0.105096D+01 -0.529494D+01  0.769739D+01
      6  -0.528208D+01  0.276207D+01  0.118712D+02  0.127619D+02  0.159896D+02
                66            67            68            69            70 
      1  -0.393084D+01  0.168942D+02 -0.105975D+02 -0.175175D+01  0.442921D+00
      2   0.152723D+02 -0.443724D+01  0.419750D+01 -0.696741D+01  0.120727D+02
      3  -0.113414D+02 -0.124570D+02  0.640001D+01  0.871916D+01 -0.125156D+02
      4   0.768675D+01 -0.374316D+01 -0.397124D+01  0.361867D+01 -0.263934D+00
      5  -0.176289D+02  0.163253D+01  0.928834D+01 -0.986201D+01 -0.156649D+02
      6  -0.139132D+01  0.142844D+02 -0.131633D+02 -0.356620D+00  0.222228D+01
                71            72            73            74            75 
      1  -0.571621D+01 -0.604298D+01  0.241697D+02  0.262034D+01  0.116900D+02
      2   0.568234D+00 -0.226567D+01 -0.184534D+02 -0.220690D+01 -0.121635D+02
      3   0.514798D+01  0.830864D+01 -0.571628D+01 -0.413432D+00  0.473552D+00
      4   0.615140D+01  0.317823D+01  0.871318D+01  0.929566D+01  0.578532D+01
      5  -0.274456D+01 -0.532293D+01  0.210102D+02  0.358569D+01  0.185680D+02
      6  -0.317662D+01  0.223485D+01  0.266689D+01  0.138542D+01  0.360521D+01
                76            77            78            79            80 
      1  -0.459706D+01  0.128574D+01 -0.262415D+01  0.143215D+02 -0.408596D+00
      2   0.434007D+01 -0.723313D+00  0.343432D+01 -0.157403D+02 -0.398371D+00
      3   0.256983D+00 -0.562427D+00 -0.810169D+00  0.141882D+01  0.806967D+00
      4   0.616633D+01  0.943265D+00  0.271019D+01  0.681503D+01  0.334052D+01
      5  -0.309151D+01  0.380274D+01 -0.241197D+01  0.231603D+02  0.516158D+01
      6   0.230962D+01 -0.656346D-01  0.384213D+01  0.393279D+01  0.476199D+01
                81            82            83            84            85 
      1   0.786200D+01 -0.500686D+00 -0.279149D+01 -0.361040D+00 -0.426370D+01
      2  -0.166940D+02  0.691233D+01  0.895794D+01  0.995548D+00  0.106664D+02
      3   0.883196D+01 -0.641164D+01 -0.616645D+01 -0.634508D+00 -0.640269D+01
      4   0.820450D+01  0.702517D+01  0.143621D+02  0.856537D+00  0.113644D+02
      5   0.266399D+02  0.154497D+01  0.234785D+01  0.196400D+01  0.200445D+01
      6   0.530667D+01  0.906985D+00  0.260695D+01  0.662549D+00  0.332811D+01
                86            87            88            89            90 
      1  -0.407723D+02 -0.369683D+01  0.388211D+00  0.283857D+01 -0.564399D+01
      2   0.750810D+02  0.356473D+01 -0.871306D+00 -0.799712D+01  0.481588D+01
      3  -0.343088D+02  0.132096D+00  0.483095D+00  0.515854D+01  0.828110D+00
      4   0.230679D+02  0.206046D+01 -0.143837D+01 -0.242669D+01  0.148123D+01
      5   0.309290D+01  0.177881D+01  0.101192D+01  0.203559D+01 -0.185113D+00
      6   0.146447D+02  0.898056D+01  0.408563D+00  0.864122D+01  0.177692D+01
                91            92            93            94            95 
      1  -0.978337D+00  0.983728D+00  0.339094D+01 -0.168126D+01 -0.584943D+01
      2  -0.363120D+01 -0.249520D+00 -0.150845D+00  0.781498D+00  0.540683D+01
      3   0.460954D+01 -0.734208D+00 -0.324010D+01  0.899767D+00  0.442598D+00
      4  -0.187808D+01  0.315024D+01  0.305646D+01  0.534809D+00 -0.240819D+00
      5  -0.206132D+01  0.928460D+00  0.651885D+01 -0.361342D+00 -0.156014D+00
      6   0.228263D+01 -0.245107D+01 -0.483232D+01 -0.108548D+01  0.366117D+01
                96            97            98            99           100 
      1  -0.167877D+01  0.440377D+01 -0.852449D+01 -0.259571D+02  0.630172D+02
      2   0.355062D+01  0.104702D+01  0.301834D+01 -0.130882D+02 -0.289316D+02
      3  -0.187186D+01 -0.545079D+01  0.550615D+01  0.390453D+02 -0.340856D+02
      4  -0.223325D+00  0.350596D+01  0.304110D+00 -0.111548D+00 -0.331913D+02
      5  -0.550877D+00  0.500413D+01  0.620093D+00  0.226217D+01  0.188692D+02
      6   0.512889D+01 -0.271759D+01  0.124396D+02  0.299900D+02 -0.109305D+02
               101           102           103           104           105 
      1  -0.113896D+02  0.160275D+02 -0.121462D+01  0.494175D+01  0.105106D+01
      2   0.182960D+01 -0.807069D+01 -0.366074D+01  0.252923D+01 -0.357146D+00
      3   0.956002D+01 -0.795686D+01  0.487536D+01 -0.747099D+01 -0.693918D+00
      4   0.179170D+02 -0.103662D+02  0.133320D+02 -0.102227D+02 -0.252519D+00
      5  -0.610869D+01  0.111927D+02  0.341374D+01 -0.121972D+01 -0.355122D+00
      6   0.408421D+01 -0.594810D+01 -0.445572D+00  0.156005D+01  0.164604D+01
               106           107           108           109           110 
      1   0.323859D+02 -0.797215D+01  0.840460D+01  0.368815D+01 -0.992668D+01
      2  -0.178785D+02  0.391691D+01 -0.672202D+01  0.213709D+01  0.657975D+01
      3  -0.145074D+02  0.405525D+01 -0.168258D+01 -0.582524D+01  0.334694D+01
      4  -0.143308D+02  0.277947D+01 -0.337128D+01 -0.559955D+01  0.482301D+01
      5   0.950184D+01  0.676952D-01  0.934432D+01  0.152346D+01 -0.257599D+01
      6  -0.384371D+01  0.116289D+01 -0.328567D+01  0.129239D+00  0.627766D+01
               111           112           113           114           115 
      1  -0.270991D+01 -0.292832D+01 -0.257052D+02 -0.106565D+02  0.944744D+00
      2   0.271126D+01 -0.230711D+01  0.428556D+02  0.133741D+02 -0.254011D+01
      3  -0.134835D-02  0.523543D+01 -0.171503D+02 -0.271755D+01  0.159537D+01
      4  -0.239630D+01  0.127189D+02 -0.317799D+02 -0.116975D+02 -0.134615D+00
      5  -0.921725D+00  0.344298D+01 -0.140400D+02 -0.838673D+01 -0.158721D-03
      6   0.351961D+01 -0.378053D+01  0.224754D+02  0.131393D+02  0.765347D+00
               116           117           118           119           120 
      1  -0.165380D+02 -0.931434D+01 -0.102036D+00 -0.138019D+01 -0.149536D+01
      2   0.212940D+02  0.740940D+01  0.147345D+00  0.415164D+00  0.202310D+00
      3  -0.475602D+01  0.190494D+01 -0.453092D-01  0.965029D+00  0.129305D+01
      4  -0.118840D+02 -0.403257D+01  0.252314D+01  0.762947D+01  0.365890D+01
      5  -0.560162D+01 -0.404496D+01  0.825214D+00  0.470759D+01  0.573043D+01
      6   0.117031D+02  0.922460D+01  0.493434D+01  0.193066D+01  0.299145D+01
               121           122           123           124           125 
      1  -0.327351D+01 -0.184371D+02 -0.132634D+02 -0.716008D+00 -0.104942D+02
      2   0.177712D+01  0.152018D+02  0.579433D+01  0.610734D+00  0.239118D+01
      3   0.149639D+01  0.323533D+01  0.746907D+01  0.105274D+00  0.810305D+01
      4   0.633591D+01  0.518668D+01  0.293642D+01  0.821001D+00  0.213680D+01
      5   0.347010D+01  0.156600D+01  0.206566D+01  0.327942D+01  0.152399D+01
      6   0.224745D+01  0.228396D+02  0.192836D+02  0.260997D+01  0.167764D+02
               126           127           128           129           130 
      1  -0.150876D+02  0.124079D+02  0.362211D+01  0.746553D+01  0.626136D+01
      2  -0.112545D+01  0.110339D+02 -0.632895D+01 -0.137409D+02 -0.133477D+02
      3   0.162131D+02 -0.234419D+02  0.270684D+01  0.627537D+01  0.708632D+01
      4   0.336193D+01  0.729266D+01  0.518751D+00  0.409826D+01 -0.134622D+01
      5   0.129643D+01  0.685775D+01 -0.485450D+01 -0.212058D+02 -0.612984D+01
      6   0.165613D+02 -0.562152D-02  0.364549D+01  0.235138D+01  0.585084D+01
               131           132           133           134           135 
      1   0.977057D+01  0.300847D+01  0.616301D+01  0.590347D+01 -0.132209D+02
      2  -0.249007D+02  0.143702D+02 -0.119018D+02  0.575518D+01  0.129021D+02
      3   0.151301D+02 -0.173786D+02  0.573876D+01 -0.116587D+02  0.318855D+00
      4  -0.187750D+02  0.215850D+01  0.576782D+01 -0.125209D+00  0.182373D+01
      5   0.451971D+01  0.107355D+02 -0.216142D+02  0.598820D+01  0.108793D+02
      6   0.221702D+02  0.997161D+00  0.885695D+00  0.493588D+01 -0.133115D+02
               136           137           138           139           140 
      1   0.665585D-01  0.170268D+02  0.257127D+02  0.236093D+02  0.476227D-01
      2   0.248080D+01 -0.129686D+02 -0.125856D+02 -0.210770D+02 -0.147074D+02
      3  -0.254736D+01 -0.405816D+01 -0.131270D+02 -0.253233D+01  0.146597D+02
      4   0.158897D+02 -0.638125D+01  0.289516D+01 -0.123288D+02 -0.366882D+02
      5   0.272125D+02 -0.845858D+00 -0.141430D+02 -0.272620D+01 -0.419358D+01
      6   0.441839D+01 -0.846916D+00 -0.139870D+01 -0.171735D+01 -0.607583D+01
               141           142           143           144           145 
      1  -0.459501D+00  0.322414D+02 -0.156752D+01 -0.194453D+02  0.156336D+02
      2  -0.190609D+01 -0.159777D+02 -0.249028D+01  0.166417D+02  0.403566D+01
      3   0.236559D+01 -0.162637D+02  0.405780D+01  0.280359D+01 -0.196692D+02
      4  -0.346031D+01  0.425393D+01 -0.361536D+01  0.118182D+02 -0.316684D+02
      5   0.147772D+02 -0.207598D+02  0.137252D+02 -0.158479D+02 -0.416930D+01
      6   0.201681D+01 -0.211689D+01  0.267696D+01 -0.195060D+01  0.197931D+01
               146           147           148           149           150 
      1  -0.525871D+01 -0.193628D+01 -0.977270D+00 -0.451231D+01 -0.528577D+00
      2  -0.117073D+02  0.111522D+00 -0.125125D+02  0.230949D+02  0.297320D+01
      3   0.169660D+02  0.182476D+01  0.134898D+02 -0.185826D+02 -0.244463D+01
      4   0.289264D+02  0.392301D+01  0.244170D+02 -0.274618D+02 -0.351253D+01
      5   0.240033D+01  0.569080D+01  0.192530D+01 -0.266482D+01 -0.237278D+01
      6  -0.178616D+01 -0.311078D+01 -0.144887D+01  0.244850D+01  0.644837D+01
               151           152           153           154           155 
      1  -0.150806D+01 -0.509574D+00 -0.110689D+01  0.326518D+01  0.242761D+01
      2  -0.645036D-02  0.335193D+01  0.240821D+01 -0.128287D+02  0.680015D-01
      3   0.151451D+01 -0.284236D+01 -0.130131D+01  0.956352D+01 -0.249561D+01
      4   0.387517D+01 -0.399222D+01 -0.550624D+01 -0.464422D+01  0.441318D+01
      5   0.588890D+01 -0.458574D+01 -0.228892D+01  0.203638D+02 -0.517965D+01
      6  -0.419002D+01  0.819486D+01  0.994298D+00 -0.928027D+01  0.497605D+01
               156           157           158           159           160 
      1  -0.405692D+01 -0.141671D+01 -0.563363D+00  0.929774D+00 -0.319090D+01
      2  -0.126921D+02 -0.663342D+00 -0.106060D+01 -0.167018D+01 -0.111632D+02
      3   0.167490D+02  0.208005D+01  0.162396D+01  0.740409D+00  0.143541D+02
      4  -0.556766D+01  0.511095D+01 -0.153098D+01  0.265974D+01 -0.421782D+01
      5   0.195528D+02 -0.122321D+01  0.333690D+01 -0.964647D+00  0.172631D+02
      6  -0.992135D+01  0.288938D+01 -0.226031D+01  0.714294D+01 -0.697125D+01
               161           162           163           164           165 
      1   0.382074D+01 -0.115553D+02 -0.356469D+01 -0.792785D+01  0.886644D+01
      2   0.942495D+00 -0.167290D+02 -0.129864D+01  0.444967D+01  0.125639D+01
      3  -0.476324D+01  0.282843D+02  0.486333D+01  0.347818D+01 -0.101228D+02
      4   0.213514D+01 -0.385742D+01  0.850236D+01  0.836602D+01 -0.700804D+01
      5  -0.318660D+01  0.207070D+02 -0.116634D+02 -0.788331D+01  0.128801D+02
      6   0.772678D+01 -0.130000D+02 -0.100978D+02 -0.139243D+02  0.129445D+02
               166           167           168           169           170 
      1  -0.517716D+01 -0.106641D+02  0.955030D+01  0.386772D+01  0.775517D+01
      2   0.293997D+01  0.100334D+02 -0.187323D+01  0.717887D+00 -0.228405D+00
      3   0.223719D+01  0.630745D+00 -0.767706D+01 -0.458560D+01 -0.752676D+01
      4   0.764231D+01  0.612143D+01 -0.495580D+01 -0.458231D+01 -0.420876D+01
      5  -0.554982D+01 -0.693458D+01  0.523381D+01  0.897068D+01  0.492867D+01
      6  -0.896417D+01 -0.144215D+02  0.151901D+02  0.634965D+01  0.124022D+02
               171           172           173           174           175 
      1  -0.111680D+02 -0.475981D+01  0.805391D+00 -0.104094D+02 -0.110417D+01
      2  -0.339016D+01 -0.440752D+01 -0.740354D+00 -0.380462D+01  0.140215D+01
      3   0.145581D+02  0.916734D+01 -0.650367D-01  0.142140D+02 -0.297981D+00
      4   0.464668D+01 -0.933167D+01  0.389495D+00 -0.198211D+01  0.141176D+01
      5  -0.795330D+01  0.132989D+02  0.166669D+01  0.806662D+01  0.166335D+01
      6  -0.151298D+02  0.996193D-01  0.415665D+01 -0.543215D+01  0.219806D+01
               176           177           178           179           180 
      1  -0.299441D+01 -0.567964D+00 -0.621981D+01 -0.937402D-01 -0.641292D+01
      2   0.353159D+01 -0.264740D+01 -0.282714D+01 -0.124454D+01 -0.622720D+01
      3  -0.537183D+00  0.321537D+01  0.904695D+01  0.133828D+01  0.126401D+02
      4   0.109104D+01  0.177905D+00 -0.229733D+01  0.382487D+00 -0.319448D+01
      5   0.172148D+01 -0.168296D+01  0.982361D+01  0.243893D-01  0.515588D+01
      6  -0.160097D+01  0.237464D+01 -0.233388D+01  0.258976D+01 -0.180881D+01
               181           182           183           184           185 
      1  -0.570467D+00  0.149497D+01 -0.521395D+00 -0.846934D+00 -0.210362D+02
      2   0.182729D+01  0.166564D+01  0.154360D+01  0.553381D+01  0.381759D+02
      3  -0.125682D+01 -0.316061D+01 -0.102220D+01 -0.468687D+01 -0.171397D+02
      4   0.437577D+01  0.841860D+01 -0.249225D+01  0.106583D+02  0.216834D+02
      5  -0.268022D+01 -0.332029D+01  0.493468D+01 -0.446259D+01 -0.609066D+01
      6  -0.313786D+01 -0.331549D+01  0.124468D+01 -0.621672D+01 -0.306649D+02
               186           187           188           189           190 
      1   0.830393D+01  0.370789D+00  0.204838D+01 -0.256818D+01  0.860678D+01
      2  -0.581779D+01  0.186777D+01  0.154211D+01  0.118778D+01 -0.173759D+02
      3  -0.248615D+01 -0.223856D+01 -0.359049D+01  0.138041D+01  0.876907D+01
      4  -0.551481D+01  0.764632D-01  0.687838D+00  0.216290D+01  0.263038D+01
      5   0.421029D+01  0.315833D+01  0.143064D+01 -0.194861D+01 -0.236146D+02
      6   0.140259D+02  0.124625D+01  0.675889D+01 -0.319039D+01 -0.299338D+00
               191           192           193           194           195 
      1  -0.208480D+01 -0.144546D+01 -0.321639D+01 -0.795949D+00 -0.162429D+01
      2   0.376497D+01  0.171051D+02  0.692753D+01 -0.979352D+00 -0.879989D+01
      3  -0.168017D+01 -0.156596D+02 -0.371114D+01  0.177530D+01  0.104242D+02
      4   0.372378D+01 -0.327144D+01  0.289523D+01 -0.710838D+00 -0.301831D+01
      5   0.279270D+01  0.253036D+02  0.863128D+01 -0.575583D+01 -0.100255D+02
      6  -0.516365D+01  0.188222D+01 -0.438886D+01  0.188828D+01  0.531012D+01
               196           197           198           199           200 
      1  -0.115044D+01 -0.427844D+00 -0.666241D+01  0.910821D+01 -0.422872D+01
      2   0.138900D+02 -0.369639D+01 -0.225109D+02 -0.804735D+01  0.330746D+01
      3  -0.127395D+02  0.412423D+01  0.291733D+02 -0.106086D+01  0.921264D+00
      4  -0.225406D+01 -0.272444D+01  0.178206D+01 -0.304896D+01  0.297373D+01
      5   0.204474D+02 -0.314951D+01 -0.266656D+02  0.876333D+01 -0.315391D+01
      6   0.648343D+00  0.540963D+01 -0.809263D+00 -0.547636D+00  0.503025D+00
               201           202           203           204           205 
      1   0.609390D+01 -0.975555D+01  0.102019D+01 -0.216520D+01  0.128176D+02
      2  -0.643008D+01  0.655596D+01 -0.382186D+00  0.365480D+01 -0.111505D+02
      3   0.336179D+00  0.319960D+01 -0.638008D+00 -0.148959D+01 -0.166711D+01
      4  -0.178145D+01  0.448682D+01 -0.209588D+01  0.621290D+01  0.149562D+00
      5   0.142249D+02 -0.524146D+01  0.605256D+01 -0.101628D+02  0.207518D+02
      6   0.567269D+00  0.885188D+00 -0.138644D+01  0.244214D+01  0.239995D+01
               206           207           208           209           210 
      1  -0.537453D+00  0.691509D+01  0.548655D+02 -0.927455D+01 -0.184411D+02
      2   0.355795D+01 -0.172855D+02 -0.299947D+02  0.573802D+01  0.104623D+02
      3  -0.302050D+01  0.103704D+02 -0.248708D+02  0.353653D+01  0.797887D+01
      4   0.794585D+01 -0.537623D+01 -0.255422D+01  0.848870D+01  0.112747D+01
      5  -0.734686D+01  0.340363D+02 -0.197595D+02  0.305382D+01  0.156785D+02
      6   0.281654D+01  0.347664D+01 -0.198756D+01  0.386178D-01  0.186132D+01
               211           212           213           214           215 
      1  -0.194603D+02  0.735670D+01  0.473808D+01 -0.339124D+02  0.402495D+01
      2   0.113964D+02 -0.199586D+01 -0.275279D+01  0.199073D+02 -0.258770D+01
      3   0.806386D+01 -0.536084D+01 -0.198528D+01  0.140051D+02 -0.143725D+01
      4   0.109800D+02 -0.253612D+01 -0.416401D+01 -0.709666D+00 -0.641726D+01
      5   0.618111D+01 -0.405097D+01 -0.704678D+01  0.219546D+02 -0.484646D+01
      6  -0.809671D+00  0.143240D+01  0.131571D+01  0.169225D+01  0.119950D+01
               216           217           218           219           220 
      1   0.148283D+02  0.710798D+01  0.575319D+01 -0.111491D+01  0.976151D+01
      2  -0.121428D+02 -0.258131D+00 -0.572960D+00  0.920381D+00  0.459522D+01
      3  -0.268555D+01 -0.684985D+01 -0.518023D+01  0.194531D+00 -0.143567D+02
      4  -0.275506D+01  0.845317D+01  0.123826D+02  0.105653D+01  0.270462D+02
      5  -0.167916D+02 -0.616529D+00  0.169955D+01  0.324303D+01  0.412964D+01
      6  -0.124970D+01  0.796999D+00  0.870370D+00  0.289101D+00  0.333755D+01
               221           222           223           224           225 
      1  -0.442658D+01  0.236185D+00 -0.290433D+01 -0.313191D+00  0.109148D+01
      2   0.266695D+02  0.899028D+00  0.132273D+01  0.757880D+00  0.430258D+00
      3  -0.222429D+02 -0.113521D+01  0.158160D+01 -0.444689D+00 -0.152173D+01
      4   0.494686D+02  0.448061D+01  0.112904D+01  0.292765D+01  0.453528D+01
      5   0.471518D+01  0.659483D+01  0.633038D+01  0.445037D+01  0.292024D+01
      6   0.785080D+01  0.679924D+01  0.294157D+01  0.645793D+01  0.165266D+01
               226           227           228           229           230 
      1   0.161734D+02  0.116214D+02 -0.510390D+01  0.760195D+01  0.280904D+01
      2  -0.576863D+01 -0.289631D+01  0.108490D+01  0.359754D+00  0.620051D+01
      3  -0.104048D+02 -0.872511D+01  0.401899D+01 -0.796171D+01 -0.900955D+01
      4   0.194096D+02  0.229881D+02 -0.638942D+01  0.157678D+02  0.274082D+02
      5  -0.656989D+01 -0.321668D+01  0.742289D+01 -0.306455D+01 -0.673422D+01
      6  -0.493371D+01 -0.509591D+01  0.380262D+01 -0.492983D+01 -0.601083D+01
               231           232           233           234 
      1  -0.320452D+01 -0.959555D+01 -0.427281D+01  0.548537D+01
      2  -0.167703D+01  0.359099D+01 -0.209831D+01 -0.333976D+01
      3   0.488155D+01  0.600455D+01  0.637112D+01 -0.214561D+01
      4  -0.833068D+01 -0.117625D+02 -0.214930D+02  0.104400D+02
      5   0.263202D+01  0.962989D+01  0.742872D+01 -0.943305D+01
      6   0.657795D+01  0.579878D+01  0.842170D+01 -0.598220D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120469D+03      0.178517D+02      0.198627D+02
   aniso      0.262044D+02      0.388309D+01      0.432052D+01
   xx         0.131844D+03      0.195373D+02      0.217382D+02
   yx        -0.814852D+01     -0.120749D+01     -0.134351D+01
   yy         0.122785D+03      0.181948D+02      0.202445D+02
   zx         0.290706D+00      0.430783D-01      0.479310D-01
   zy         0.114817D+01      0.170142D+00      0.189308D+00
   zz         0.106779D+03      0.158230D+02      0.176055D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120469D+03      0.178517D+02      0.198627D+02
   aniso      0.262044D+02      0.388309D+01      0.432052D+01
   xx         0.117898D+03      0.174707D+02      0.194388D+02
   yx         0.590603D+01      0.875183D+00      0.973772D+00
   yy         0.110179D+03      0.163268D+02      0.181660D+02
   zx        -0.736788D+01     -0.109181D+01     -0.121480D+01
   zy        -0.868356D+00     -0.128677D+00     -0.143173D+00
   zz         0.133331D+03      0.197577D+02      0.219834D+02

 ----------------------------------------------------------------------
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 ALL MY ATTEMPTS TO ADAPT THE THEORETICAL FOUNDATIONS OF PHYSICS
 TO THESE NEW NOTIONS FAILED COMPLETELY. IT WAS AS IF THE GROUND HAD
 BEEN PULLED OUT FROM UNDER ONE WITH NO FIRM FOUNDATION TO BE SEEN ANYWHERE,
 UPON WHICH ONE COULD HAVE BUILT.  -- A.EINSTEIN
 Job cpu time:       0 days 12 hours 11 minutes 52.1 seconds.
 Elapsed time:       0 days  1 hours 31 minutes 43.1 seconds.
 File lengths (MBytes):  RWF=    709 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:37:37 2021.
